data_P2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PbBr
_chemical_formula_sum   'P2 Pb1 Br1'
_cell_volume   96.2
_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  P1  1  0.38  0.73  0.59  1.0
  P  P2  1  0.38  0.27  0.59  1.0
  Pb  Pb3  1  0.76  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_P2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.52
_cell_length_c   6.13
_cell_angle_alpha   116.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PbBr
_chemical_formula_sum   'P2 Pb1 Br1'
_cell_volume   96.2
_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  0.59  0.27  0.65  1.0
  P  P1  1  0.59  0.73  0.12  1.0
  Pb  Pb2  1  -0.0  0.0  0.76  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

P P Pb Br