data_[Mg24Cd8Bi24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.7062]
_cell_length_b [7.5890]
_cell_length_c [12.0727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Mg3CdBi3]
_chemical_formula_sum '[Mg24 Cd8 Bi24]'
_cell_volume [1622.2405]
_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  16  0.1694  0.1456  0.6020  1
  Mg  Mg1  8  0.0000  0.1438  0.3989  1
  Cd  Cd2  8  0.0914  0.0000  0.0000  1
  Bi  Bi3  16  0.1688  0.2432  0.3525  1
  Bi  Bi4  8  0.0000  0.2493  0.6519  1
]