data_[Zr24Zn4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.3073]
_cell_length_b [14.5497]
_cell_length_c [6.8790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zr6ZnBi3]
_chemical_formula_sum '[Zr24 Zn4 Bi12]'
_cell_volume [1031.6308]
_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  0.1626  0.2452  0.7816  1
  Zr  Zr1  8  0.1747  0.4312  0.3409  1
  Zr  Zr2  4  0.0000  0.0267  0.7460  1
  Zr  Zr3  4  0.0000  0.2581  0.3744  1
  Zn  Zn4  4  0.0000  0.1506  0.0367  1
  Bi  Bi5  8  0.1892  0.1005  0.4613  1
  Bi  Bi6  4  0.0000  0.4162  0.6900  1
]