data_[Zr20Bi8Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.9034]
_cell_length_b [7.7182]
_cell_length_c [7.6454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Zr5(BiSb)2]
_chemical_formula_sum '[Zr20 Bi8 Sb8]'
_cell_volume [879.4341]
_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  16  0.1283  0.1520  0.3412  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  8  0.2032  0.0000  0.0000  1.0
  Sb  Sb3  8  0.0000  0.1434  0.6412  1.0
]