data_[Pa10Se10S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2980]
_cell_length_b [3.9360]
_cell_length_c [11.8382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa5Se5S2]
_chemical_formula_sum '[Pa10 Se10 S4]'
_cell_volume [580.8658]
_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  0.1207  0.0000  0.4283  1
  Pa  Pa1  4  0.1788  0.5000  0.7783  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1682  0.5000  0.0473  1
  Se  Se4  4  0.2217  0.5000  0.3305  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  4  0.0370  0.0000  0.7889  1
]