data_[Zr8H4Pb8]
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 [3.4188]
_cell_length_b [15.4819]
_cell_length_c [7.9819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zr2HPb2]
_chemical_formula_sum '[Zr8 H4 Pb8]'
_cell_volume [422.4805]
_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  4  0.0000  0.1219  0.9347  1
  Zr  Zr1  4  0.0000  0.4535  0.1266  1
  H  H2  4  0.0000  0.4430  0.3937  1
  Pb  Pb3  4  0.0000  0.0902  0.3075  1
  Pb  Pb4  4  0.0000  0.2292  0.6030  1
]