/usr/share/avogadro/crystals/elements/In-Indium.cif is in avogadro-data 1.2.0-3.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 | # Part of the Crystallography Open Database
# All data on this site have been placed in the public domain by the
# contributors.
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/.
#
# All data on this site have been placed in the public domain by the
# contributors.
data_5910133
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Pages 8 & 10 from the second edition supplement of The Structure
of Crystals by Wyckoff R W G. published by Reinhold Publishing
Corporation, INC,Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst
;
_journal_name_full
'The second edition supplement of The Structure of Crystals'
_journal_page_first 8
_journal_page_last 10
_journal_year 1935
_chemical_formula_structural In
_chemical_formula_sum In
_chemical_name_systematic Indium
_symmetry_cell_setting tetragonal
_symmetry_Int_Tables_number 139
_symmetry_space_group_name_H-M 'I 4/m m m'
_audit_creation_date 2005-07-11
_audit_creation_method
;
Pages 8 & 10 from the second edition supplement of The Structure
of Crystals by Wyckoff R W G. published by Reinhold Publishing
Corporation, INC,Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha 4.583
_cell_angle_beta 4.583
_cell_angle_gamma 4.936
_cell_length_a 90
_cell_length_b 90
_cell_length_c 90
_cell_volume 4225.771
_cod_database_code 5910133
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.000000 0.000000 0.000000 In1
0.500000 0.500000 0.000000 In2
0.500000 0.000000 0.500000 In3
0.000000 0.500000 0.500000 In4
|