data_[Zr20Bi4Sb4]
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 [C2/c]
_cell_length_a [7.6452]
_cell_length_b [7.9355]
_cell_length_c [11.5056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr5BiSb]
_chemical_formula_sum '[Zr20 Bi4 Sb4]'
_cell_volume [668.7962]
_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  8  0.1420  0.3693  0.0647  1
  Zr  Zr1  8  0.2170  0.2578  0.3653  1
  Zr  Zr2  4  0.0000  0.0411  0.7500  1
  Bi  Bi3  4  0.0000  0.4221  0.7500  1
  Sb  Sb4  4  0.0000  0.0000  0.0000  1
]