data_[Fe4Re8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9428]
_cell_length_b [2.7241]
_cell_length_c [9.3582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeRe2Os]
_chemical_formula_sum '[Fe4 Re8 Os4]'
_cell_volume [220.9349]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Fe  Fe0  4  0.1261  0.5000  0.9770  1.0
  Re  Re1  4  0.1154  0.0000  0.2147  1.0
  Re  Re2  4  0.1273  0.0000  0.7402  1.0
  Os  Os3  4  0.1262  0.5000  0.4793  1.0
]