data_[Hf1Zr3Bi4]
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 [P3m1]
_cell_length_a [4.2110]
_cell_length_b [4.2110]
_cell_length_c [13.8701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfZr3Bi4]
_chemical_formula_sum '[Hf1 Zr3 Bi4]'
_cell_volume [213.0056]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1198  1
  Zr  Zr1  1  0.0000  0.0000  0.3800  1
  Zr  Zr2  1  0.3333  0.6667  0.6184  1
  Zr  Zr3  1  0.3333  0.6667  0.8816  1
  Bi  Bi4  1  0.0000  0.0000  0.7503  1
  Bi  Bi5  1  0.3333  0.6667  0.2479  1
  Bi  Bi6  1  0.6667  0.3333  0.0026  1
  Bi  Bi7  1  0.6667  0.3333  0.4994  1
]