/usr/share/avogadro/crystals/clays/Al2Si2O9H4-Nacrite.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 'Nacrite'
loop_
_publ_author_name
'Zhukhlistov A P'
_journal_name_full 'Crystallography Reports'
_journal_volume 53
_journal_year 2008
_journal_page_first 76
_journal_page_last 82
_publ_section_title
;
Crystal structure of nacrite from the electron diffraction data
;
_database_code_amcsd 0012394
_chemical_formula_sum 'Al2 Si2 O9 H4'
_cell_length_a 8.910
_cell_length_b 5.144
_cell_length_c 14.593
_cell_angle_alpha 90
_cell_angle_beta 100.50
_cell_angle_gamma 90
_cell_volume 657.642
_exptl_crystal_density_diffrn 2.607
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
'x,y,z'
'1/2+x,1/2+y,z'
'x,-y,1/2+z'
'1/2+x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1 0.32750 -0.07030 -0.00020
Al2 0.16280 0.42450 0.00040
Si1 0.06320 0.27960 0.18970
Si2 0.23420 -0.23440 0.19070
O1 0.13490 0.00110 0.22150
O2 0.18090 0.50270 0.23620
O3 0.41190 -0.19250 0.23710
O4 0.02140 0.31110 0.07880
O5 0.21430 -0.26200 0.07940
O-h1 0.32710 0.23790 0.07480
O-h2 0.16400 0.11530 -0.06600
O-h3 0.28530 -0.37930 -0.06500
O-h4 0.47720 0.04320 -0.06510
H1 0.42600 0.31800 0.09600
H2 0.59900 0.41000 0.37800
H3 0.30000 0.34600 0.38000
H4 0.49900 -0.11400 0.38000
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
Al1 0.00817 0.00643 0.00939 -0.00114 0.00064 0.00075
Al2 0.00778 0.00630 0.00834 -0.00068 0.00064 0.00150
Si1 0.00778 0.00617 0.01043 -0.00183 0.00446 -0.00075
Si2 0.00817 0.00885 0.00834 -0.00091 0.00255 0.00037
O1 0.01011 0.00858 0.01565 -0.00023 0.00764 -0.00112
O2 0.00933 0.00858 0.01043 0.00183 0.00127 -0.00224
O3 0.01166 0.01019 0.01565 0.00411 0.00637 0.00037
O4 0.01089 0.00871 0.01043 -0.00479 0.00446 -0.00112
O5 0.01089 0.01099 0.00939 0.00320 0.00318 0.00523
O-h1 0.01011 0.00818 0.01147 0.00023 0.00637 0.00187
O-h2 0.01283 0.01059 0.01460 -0.00297 0.00573 -0.00486
O-h3 0.00855 0.00938 0.01252 0.00114 0.00446 -0.00075
O-h4 0.01089 0.01206 0.01460 0.00068 0.00573 0.00000
H1 0.04899 0.03928 0.04589 0.01027 0.03057 0.02580
H2 0.03849 0.04424 0.04381 -0.02146 -0.00255 0.01533
H3 0.03577 0.03820 0.03442 0.02009 0.01401 -0.01421
H4 0.03499 0.03740 0.04172 0.02762 0.03184 0.00897
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