data_PbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.84
_cell_angle_alpha   91.6
_cell_angle_beta   91.6
_cell_angle_gamma   59.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbBr2
_chemical_formula_sum   'Pb1 Br2'
_cell_volume   119.25
_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  Pb2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.59  0.0  0.66  1.0
  Br  Br1  1  0.98  0.0  0.18  1.0

data_PbBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   7.76
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PbBr2
_chemical_formula_sum   'Pb2 Br4'
_cell_volume   238.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Br  Br1  2  0.02  0.0  0.82  1.0
  Br  Br2  2  0.41  0.0  0.34  1.0

Pb Br Br
Pb Br Br 0 2 - o o 0 1 o o - 0 1 - o - 