data_[H4Pb4S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6632]
_cell_length_b [4.2313]
_cell_length_c [8.4483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HPbS]
_chemical_formula_sum '[H4 Pb4 S4]'
_cell_volume [305.9367]
_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
[
  H  H0  4  0.0379  0.0432  0.5145  1
  Pb  Pb1  4  0.3325  0.7499  0.3478  1
  S  S2  4  0.3530  0.2493  0.1016  1
]