data_[P2Pb1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2078]
_cell_length_b [3.4539]
_cell_length_c [7.9230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [P2PbBr]
_chemical_formula_sum '[P2 Pb1 Br1]'
_cell_volume [114.1208]
_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  0.2920  0.5000  0.8571  1
  P  P1  1  0.9651  0.0000  0.8048  1
  Pb  Pb2  1  0.3922  0.0000  0.5222  1
  Br  Br3  1  0.8507  0.5000  0.3159  1
]