data_[Pb2Br10]
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 [P2_1/m]
_cell_length_a [3.8458]
_cell_length_b [18.3744]
_cell_length_c [6.8802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PbBr5]
_chemical_formula_sum '[Pb2 Br10]'
_cell_volume [467.4639]
_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  0.1852  0.2500  0.8535  1
  Br  Br1  4  0.0634  0.5447  0.6306  1
  Br  Br2  4  0.2388  0.6363  0.9910  1
  Br  Br3  2  0.4791  0.7500  0.4800  1
]