data_[Hf2Zr14Bi6]
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 [Immm]
_cell_length_a [5.4656]
_cell_length_b [9.4197]
_cell_length_c [10.7892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [HfZr7Bi3]
_chemical_formula_sum '[Hf2 Zr14 Bi6]'
_cell_volume [555.4765]
_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  2  0.0000  0.5000  0.0000  1
  Zr  Zr1  8  0.0000  0.3231  0.2680  1
  Zr  Zr2  4  0.0000  0.1796  0.0000  1
  Zr  Zr3  2  0.0000  0.0000  0.5000  1
  Bi  Bi4  4  0.0000  0.0000  0.2323  1
  Bi  Bi5  2  0.0000  0.5000  0.5000  1
]