data_[Pa8H4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6265]
_cell_length_b [10.4422]
_cell_length_c [10.9204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2HSe2]
_chemical_formula_sum '[Pa8 H4 Se8]'
_cell_volume [413.5451]
_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
[
  Pa  Pa0  4  0.0000  0.0445  0.8818  1
  Pa  Pa1  4  0.0000  0.2427  0.1312  1
  H  H2  4  0.0000  0.3497  0.5034  1
  Se  Se3  4  0.0000  0.0406  0.6259  1
  Se  Se4  4  0.0000  0.3218  0.8429  1
]