data_[H4Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6300]
_cell_length_b [4.7204]
_cell_length_c [21.5809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.1268]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H4Pb3]
_chemical_formula_sum '[H4 Pb3]'
_cell_volume [471.6572]
_cell_formula_units_Z [1]
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
[
  H  H0  1  0.1288  0.8577  0.3985  1
  H  H1  1  0.2361  0.3961  0.6527  1
  H  H2  1  0.3227  0.4101  0.6820  1
  H  H3  1  0.7604  0.3356  0.4023  1
  Pb  Pb4  1  0.1666  0.8390  0.4930  1
  Pb  Pb5  1  0.1948  0.3327  0.3771  1
  Pb  Pb6  1  0.6472  0.3412  0.4943  1
]