data_PPbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   5.68
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPbBr2
_chemical_formula_sum   'P1 Pb1 Br2'
_cell_volume   138.69
_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
  P  P2  1  0.19  0.0  0.75  1.0
  Pb  Pb3  1  0.26  0.84  0.77  1.0
  Br  Br0  1  0.77  0.0  0.76  1.0
  Br  Br1  1  0.97  0.84  0.62  1.0

data_PPbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   5.58
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPbBr2
_chemical_formula_sum   'P1 Pb1 Br2'
_cell_volume   138.69
_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
  P  P0  1  0.81  0.25  0.0  1.0
  Pb  Pb1  1  0.74  0.23  0.16  1.0
  Br  Br2  1  0.03  0.38  0.16  1.0
  Br  Br3  1  0.23  0.24  0.0  1.0

P Pb Br Br