data_[Mg8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.1095]
_cell_length_b [8.1229]
_cell_length_c [11.7686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [MgBi]
_chemical_formula_sum '[Mg8 Bi8]'
_cell_volume [488.4444]
_cell_formula_units_Z [8]
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
[
  Mg  Mg0  4  0.0747  0.1548  0.0580  1.0
  Mg  Mg1  4  0.1362  0.2871  0.3273  1.0
  Bi  Bi2  4  0.0868  0.5187  0.0121  1.0
  Bi  Bi3  4  0.1609  0.0344  0.7426  1.0
]