/usr/share/avogadro/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif is in avogadro-data 1.2.0-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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_chemical_name_mineral 'Guidottiite'
loop_
_publ_author_name
'Wahle M W'
'Bujnowski T J'
'Guggenheim S'
'Kogure T'
_journal_name_full 'Clays and Clay Minerals'
_journal_volume 58
_journal_year 2010
_journal_page_first 364
_journal_page_last 376
_publ_section_title
;
Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group
mineral from South Africa
;
_database_code_amcsd 0018323
_chemical_compound_source 'N'chwaning 2 mine, Kalahari manganese field, South Africa'
_chemical_formula_sum 'Mn1.854 Fe1.656 Mg.537 Si.953 O9 H4'
_cell_length_a 5.5472
_cell_length_b 5.5472
_cell_length_c 14.296
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 380.972
_exptl_crystal_density_diffrn 3.332
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
'x,y,z'
'x-y,x,1/2+z'
'-y,x-y,z'
'-x,-y,1/2+z'
'-x+y,-x,z'
'y,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MnM1 0.66700 -0.00080 0.23750 0.61800 0.01390
Fe3+M1 0.66700 -0.00080 0.23750 0.20300 0.01390
MgM1 0.66700 -0.00080 0.23750 0.17900 0.01390
SiT1 0.00000 0.00000 0.03820 0.32200 0.00900
Fe3+T1 0.00000 0.00000 0.03820 0.67800 0.00900
SiT2 0.33333 0.66667 0.03660 0.63100 0.00950
Fe3+T2 0.33333 0.66667 0.03660 0.36900 0.00950
O1 0.19100 0.33200 0.00000 1.00000 0.01900
O4 0.00000 0.00000 0.15700 1.00000 0.00670
O5 0.33333 0.66667 0.15770 1.00000 0.00730
O-H1 0.66667 0.33333 0.15920 1.00000 0.00520
O-H2 0.33500 0.00100 0.30810 1.00000 0.00870
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
MnM1 0.01380 0.01380 0.01410 0.00700 0.00010 0.00030
Fe3+M1 0.01380 0.01380 0.01410 0.00700 0.00010 0.00030
MgM1 0.01380 0.01380 0.01410 0.00700 0.00010 0.00030
SiT1 0.00860 0.00860 0.00970 0.00430 0.00000 0.00000
Fe3+T1 0.00860 0.00860 0.00970 0.00430 0.00000 0.00000
SiT2 0.00880 0.00880 0.01100 0.00440 0.00000 0.00000
Fe3+T2 0.00880 0.00880 0.01100 0.00440 0.00000 0.00000
O4 0.00960 0.00960 0.00100 0.00480 0.00000 0.00000
O5 0.00740 0.00740 0.00700 0.00370 0.00000 0.00000
O-H1 0.00680 0.00680 0.00200 0.00340 0.00000 0.00000
O-H2 0.01000 0.01300 0.00200 0.00500 0.00200 0.00100
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