data_[Hf6Zr2Bi8]
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 [Pmmn]
_cell_length_a [5.4360]
_cell_length_b [10.8856]
_cell_length_c [7.1120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Hf3ZrBi4]
_chemical_formula_sum '[Hf6 Zr2 Bi8]'
_cell_volume [420.8433]
_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  0.0000  0.2496  0.1210  1
  Hf  Hf1  2  0.0000  0.5000  0.8819  1
  Zr  Zr2  2  0.0000  0.0000  0.8727  1
  Bi  Bi3  4  0.0000  0.2517  0.6836  1
  Bi  Bi4  2  0.0000  0.0000  0.3150  1
  Bi  Bi5  2  0.0000  0.5000  0.3183  1
]