data_[Zr12H4Pb4]
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 [Ama2]
_cell_length_a [5.2027]
_cell_length_b [10.4840]
_cell_length_c [6.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Zr3HPb]
_chemical_formula_sum '[Zr12 H4 Pb4]'
_cell_volume [376.3941]
_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  0.2500  0.1351  0.9777  1
  Zr  Zr1  4  0.2500  0.3982  0.7433  1
  Zr  Zr2  4  0.2500  0.3989  0.1985  1
  H  H3  4  0.0000  0.0000  0.8652  1
  Pb  Pb4  4  0.2500  0.1678  0.4689  1
]