data_[Pa2Ga6Br4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  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 [15.5873]
_cell_length_b [8.7060]
_cell_length_c [6.3255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaGa3(BrCl3)2]
_chemical_formula_sum '[Pa2 Ga6 Br4 Cl12]'
_cell_volume [856.9572]
_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  0.0000  0.0000  0.5000  1
  Ga  Ga1  4  0.2500  0.2500  0.5000  1
  Ga  Ga2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1656  0.5000  0.2437  1
  Cl  Cl4  8  0.0750  0.2086  0.7296  1
  Cl  Cl5  4  0.1318  0.0000  0.2736  1
]