data_Pb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   145.09
_cell_angle_beta   128.93
_cell_angle_gamma   63.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb2Br
_chemical_formula_sum   'Pb2 Br1'
_cell_volume   102.54
_cell_formula_units_Z   1
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  Pb1  1  0.0  0.0  0.01  1.0
  Pb  Pb2  1  0.0  0.0  0.46  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Pb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.3
_cell_length_c   6.15
_cell_angle_alpha   115.53
_cell_angle_beta   107.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb2Br
_chemical_formula_sum   'Pb2 Br1'
_cell_volume   102.54
_cell_formula_units_Z   1
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  1  0.0  0.01  0.01  1.0
  Pb  Pb1  1  0.0  0.46  0.46  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

Pb Pb Br