data_[Re4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4652]
_cell_length_b [4.1137]
_cell_length_c [5.7169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReBi2]
_chemical_formula_sum '[Re4 Bi8]'
_cell_volume [312.7442]
_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
[
  Re  Re0  4  0.2313  0.0000  0.3779  1
  Bi  Bi1  4  0.0719  0.5000  0.2983  1
  Bi  Bi2  4  0.1540  0.0000  0.8566  1
]