data_[Mg10Bi10]
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 [Amm2]
_cell_length_a [5.4264]
_cell_length_b [17.5208]
_cell_length_c [5.6737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgBi]
_chemical_formula_sum '[Mg10 Bi10]'
_cell_volume [539.4196]
_cell_formula_units_Z [10]
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  0.0000  0.0934  0.1172  1
  Mg  Mg1  4  0.5000  0.1025  0.7283  1
  Mg  Mg2  2  0.5000  0.0000  0.2613  1
  Bi  Bi3  4  0.0000  0.1979  0.6560  1
  Bi  Bi4  4  0.5000  0.1681  0.2188  1
  Bi  Bi5  2  0.0000  0.0000  0.6339  1
]