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#$Date: 2014-07-11 19:04:56 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/30/00/2300063.cif $
#------------------------------------------------------------------------------
#
# 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_2300063
_journal_name_full  'Journal of Applied Crystallography'
_journal_year  2004
_journal_volume  37
_journal_page_first  82
_journal_page_last  90
_chemical_formula_sum  "C Fe3"
_chemical_formula_weight  179.55
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  "P n m a"
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 +x,+y,+z
  2 -x+1/2,+y+1/2,+z+1/2
  3 +x,-y+1/2,+z
  4 -x+1/2,-y,+z+1/2
  -1 -x,-y,-z
  -2 +x+1/2,-y+1/2,-z+1/2
  -3 -x,+y+1/2,-z
  -4 +x+1/2,+y,-z+1/2
_cell_length_a  5.08475(16)
_cell_length_b  6.7367(2)
_cell_length_c  4.51394(13)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  90.0
_cell_volume  154.62248
_cell_formula_units_Z  4
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Fe1 0.1838 0.05672 0.33261 0.01684 Uiso 1.0 FE
  Fe2 0.03299 0.25 0.8407 0.01684 Uiso 1.0 FE
  C 0.89411 0.25 0.44997 0.0413 Uiso 1.0 C
_cod_database_code 2300063
_journal_paper_doi 10.1107/S0021889803024695