data_[Zr12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6144]
_cell_length_b [4.0077]
_cell_length_c [10.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Zr3Bi2]
_chemical_formula_sum '[Zr12 Bi8]'
_cell_volume [507.3619]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0365  0.2500  0.8837  1.0
  Zr  Zr1  4  0.1205  0.7500  0.4174  1.0
  Zr  Zr2  4  0.1964  0.2500  0.2105  1.0
  Bi  Bi3  4  0.0482  0.7500  0.6783  1.0
  Bi  Bi4  4  0.2027  0.7500  0.9991  1.0
]