data_[Bi8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4116]
_cell_length_b [4.0735]
_cell_length_c [5.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2Os]
_chemical_formula_sum '[Bi8 Os4]'
_cell_volume [309.2289]
_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
[
  Bi  Bi0  4  0.0822  0.5000  0.2973  1
  Bi  Bi1  4  0.1561  0.0000  0.8447  1
  Os  Os2  4  0.2335  0.0000  0.3491  1
]