data_[Pa8H2S10]
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 [C2/m]
_cell_length_a [16.3706]
_cell_length_b [3.7235]
_cell_length_c [7.8642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa4HS5]
_chemical_formula_sum '[Pa8 H2 S10]'
_cell_volume [463.7975]
_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  4  0.0019  0.0000  0.7594  1
  Pa  Pa1  4  0.1576  0.5000  0.0883  1
  H  H2  2  0.0000  0.5000  0.0000  1
  S  S3  4  0.1671  0.0000  0.3378  1
  S  S4  4  0.1725  0.0000  0.8383  1
  S  S5  2  0.0000  0.5000  0.5000  1
]