/usr/share/avogadro/crystals/elements/Tl-Thallium.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 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 | # Part of the Crystallography Open Database
# All data on this site have been placed in the public domain by the
# contributors.
#------------------------------------------------------------------------------
#$Date: 2010-06-10 15:11:07 +0000 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: svn://cod.ibt.lt/cod/cif/9/9008555.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008555
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Second edition. Interscience Publishers, New York, New York
Body centered cubic, bcc, structure
;
_journal_name_full 'Crystal Structures'
_journal_page_first 7
_journal_page_last 83
_journal_volume 1
_journal_year 1963
_chemical_formula_sum Tl
_chemical_name_mineral Thallium
_space_group_IT_number 229
_symmetry_space_group_name_Hall '-I 4 2 3'
_symmetry_space_group_name_H-M 'I m -3 m'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_length_a 3.882
_cell_length_b 3.882
_cell_length_c 3.882
_cell_volume 58.501
_exptl_crystal_density_diffrn 11.603
_[local]_cod_cif_authors_sg_H-M 'I m 3 m'
_cod_database_code 9008555
_amcsd_database_code AMCSD#0010886
loop_
_symmetry_equiv_pos_as_xyz
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z,x,y
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1/2-y,1/2-z,1/2-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl 0.00000 0.00000 0.00000
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