data_[Zr24H4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6954]
_cell_length_b [14.9440]
_cell_length_c [4.8473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zr6HPb3]
_chemical_formula_sum '[Zr24 H4 Pb12]'
_cell_volume [847.1835]
_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  0.4256  0.8415  1.0
  Zr  Zr1  8  0.1676  0.2423  0.3394  1.0
  Zr  Zr2  4  0.0000  0.0705  0.3430  1.0
  Zr  Zr3  4  0.0000  0.2601  0.8395  1.0
  H  H4  4  0.0000  0.2041  0.4425  1.0
  Pb  Pb5  8  0.1667  0.0980  0.8439  1.0
  Pb  Pb6  4  0.0000  0.4039  0.3402  1.0
]