data_[Hf4Zr10Bi10]
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 [14.7675]
_cell_length_b [3.9848]
_cell_length_c [11.0528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2(ZrBi)5]
_chemical_formula_sum '[Hf4 Zr10 Bi10]'
_cell_volume [591.1179]
_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  0.0719  0.0000  0.7534  1.0
  Zr  Zr1  4  0.0993  0.5000  0.2531  1.0
  Zr  Zr2  4  0.1625  0.5000  0.9963  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  4  0.1445  0.0000  0.4800  1.0
  Bi  Bi5  4  0.2376  0.5000  0.7701  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]