data_[Hf10Zr4Bi8]
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 [25.4727]
_cell_length_b [3.1545]
_cell_length_c [7.5591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5(ZrBi2)2]
_chemical_formula_sum '[Hf10 Zr4 Bi8]'
_cell_volume [592.3110]
_cell_formula_units_Z [2]
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  0.1265  0.0000  0.0301  1
  Hf  Hf1  4  0.2109  0.0000  0.3682  1
  Hf  Hf2  2  0.0000  0.5000  0.0000  1
  Zr  Zr3  4  0.0849  0.0000  0.3667  1
  Bi  Bi4  4  0.0371  0.0000  0.7054  1
  Bi  Bi5  4  0.1717  0.5000  0.6909  1
]