data_[Fe2Bi4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1494]
_cell_length_b [4.1494]
_cell_length_c [15.5053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Fe(BiOs)2]
_chemical_formula_sum '[Fe2 Bi4 Os4]'
_cell_volume [231.2010]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.2500  1
  Bi  Bi1  4  0.3333  0.6667  0.0891  1
  Os  Os2  4  0.3333  0.6667  0.6739  1
]