data_[Mg4Cu4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3982]
_cell_length_b [4.4288]
_cell_length_c [7.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCuBi]
_chemical_formula_sum '[Mg4 Cu4 Bi4]'
_cell_volume [266.6132]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.1520  0.0000  0.3899  1.0
  Bi  Bi3  4  0.2358  0.0000  0.7792  1.0
]