data_[Zr12Nb4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1702]
_cell_length_b [3.6976]
_cell_length_c [11.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3NbBi]
_chemical_formula_sum '[Zr12 Nb4 Bi4]'
_cell_volume [461.2369]
_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  0.0353  0.0000  0.3546  1.0
  Zr  Zr1  4  0.0678  0.5000  0.8649  1.0
  Zr  Zr2  4  0.2497  0.0000  0.7203  1.0
  Nb  Nb3  4  0.1609  0.5000  0.5325  1.0
  Bi  Bi4  4  0.1416  0.0000  0.0847  1.0
]