data_[Zr24Bi12H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6966]
_cell_length_b [14.8255]
_cell_length_c [4.9700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zr6Bi3H]
_chemical_formula_sum '[Zr24 Bi12 H4]'
_cell_volume [861.8476]
_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  0.1666  0.2410  0.6631  1.0
  Zr  Zr1  8  0.1667  0.4267  0.1589  1.0
  Zr  Zr2  4  0.0000  0.0678  0.6559  1.0
  Zr  Zr3  4  0.0000  0.2620  0.1630  1.0
  Bi  Bi4  8  0.1669  0.0971  0.1558  1.0
  Bi  Bi5  4  0.0000  0.4045  0.6605  1.0
  H  H6  4  0.0000  0.2022  0.5505  1.0
]