data_[Pa4Se2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6997]
_cell_length_b [3.5311]
_cell_length_c [13.0730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2SeBr6]
_chemical_formula_sum '[Pa4 Se2 Br12]'
_cell_volume [667.1835]
_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  0.0449  0.5000  0.2014  1
  Se  Se1  2  0.0000  0.0000  0.0000  1
  Br  Br2  4  0.0897  0.0000  0.4032  1
  Br  Br3  4  0.1126  0.0000  0.8498  1
  Br  Br4  4  0.2022  0.0000  0.2519  1
]