data_[Pa4Br16Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2749]
_cell_length_b [12.9058]
_cell_length_c [8.8888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2Br8Cl]
_chemical_formula_sum '[Pa4 Br16 Cl2]'
_cell_volume [1063.8957]
_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  0.1112  0.0000  0.2863  1
  Br  Br1  8  0.0972  0.2070  0.2816  1
  Br  Br2  4  0.1121  0.5000  0.7902  1
  Br  Br3  4  0.1831  0.0000  0.6000  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
]