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 [11.5979]
_cell_length_b [14.7974]
_cell_length_c [4.9933]
_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 [856.9337]
_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  0.1667  0.4281  0.6592  1
  Zr  Zr1  8  0.1668  0.2410  0.1629  1
  Zr  Zr2  4  0.0000  0.0678  0.1560  1
  Zr  Zr3  4  0.0000  0.2615  0.6633  1
  Bi  Bi4  8  0.1673  0.0972  0.6555  1
  Bi  Bi5  4  0.0000  0.4047  0.1607  1
  H  H6  4  0.0000  0.2023  0.0503  1
]