data_[Hf12Zr4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6580]
_cell_length_b [3.7496]
_cell_length_c [10.1088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3ZrBi2]
_chemical_formula_sum '[Hf12 Zr4 Bi8]'
_cell_volume [589.7299]
_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
[
  Hf  Hf0  4  0.0505  0.0000  0.6503  1
  Hf  Hf1  4  0.1215  0.5000  0.4780  1
  Hf  Hf2  4  0.1879  0.5000  0.8803  1
  Zr  Zr3  4  0.1147  0.0000  0.0674  1
  Bi  Bi4  4  0.0038  0.5000  0.1680  1
  Bi  Bi5  4  0.2472  0.5000  0.3058  1
]