data_[Pa2S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7622]
_cell_length_b [3.7614]
_cell_length_c [7.8647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PaS2Br]
_chemical_formula_sum '[Pa2 S4 Br2]'
_cell_volume [288.6967]
_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  0.3536  0.5000  0.4217  1
  S  S1  2  0.1564  0.0000  0.4414  1
  S  S2  2  0.4268  0.0000  0.2159  1
  Br  Br3  2  0.4348  0.0000  0.6930  1
]