data_[Pb2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5878]
_cell_length_b [7.1353]
_cell_length_c [10.4227]
_cell_angle_alpha [97.8126]
_cell_angle_beta [102.4052]
_cell_angle_gamma [108.6388]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PbBr3]
_chemical_formula_sum '[Pb2 Br6]'
_cell_volume [307.9336]
_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
[
  Pb  Pb0  2  0.4008  0.6132  0.1955  1.0
  Br  Br1  2  0.0811  0.9079  0.2637  1.0
  Br  Br2  2  0.3073  0.6900  0.9234  1.0
  Br  Br3  2  0.3773  0.3253  0.4318  1.0
]