#------------------------------------------------------------------------------
#$Date: 2010-04-07 09:33:09 +0300 (Wed, 07 Apr 2010) $
#$Revision: 1238 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/cod-different-contents/9011403.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_9011403
loop_
_publ_author_name
'Hendricks, S. B.'
'Kosting, P. R.'
_publ_section_title
;
 The crystal structure of Fe2P, Fe2N, Fe3N and FeB
 Locality: synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              511
_journal_page_last               533
_journal_volume                  74
_journal_year                    1930
_chemical_formula_sum            'Fe6 P3'
_chemical_name_mineral           Barringerite
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.852
_cell_length_b                   5.852
_cell_length_c                   3.453
_cell_volume                     102.408
_[local]_cod_data_source_file    09516.cif
_[local]_cod_data_source_block   global
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,z
-x+y,-x,-z
y,x,-z
-y,x-y,z
x-y,-y,z
x,y,-z
-x,-x+y,-z
-x+y,-x,z
y,x,z
-y,x-y,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.26000 0.26000 0.00000 1.00000
Fe2 0.40000 0.00000 0.50000 1.00000
P1 0.00000 0.00000 0.50000 1.00000
P2 0.33333 0.66667 0.12500 0.50000
_cod_database_code 9011403
