data_[Pa2H4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.7084]
_cell_length_b [10.1254]
_cell_length_c [6.5568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PaH2S3]
_chemical_formula_sum '[Pa2 H4 S6]'
_cell_volume [246.2043]
_cell_formula_units_Z [2]
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
[
  Pa  Pa0  2  0.0000  0.1273  0.0487  1
  H  H1  2  0.0000  0.1834  0.6022  1
  H  H2  2  0.5000  0.3165  0.3502  1
  S  S3  2  0.0000  0.2892  0.7294  1
  S  S4  2  0.5000  0.0168  0.3276  1
  S  S5  2  0.5000  0.3282  0.1433  1
]