data_P2SeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.08
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2SeBr
_chemical_formula_sum   'P2 Se1 Br1'
_cell_volume   102.01
_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  0.48  0.0  0.11  1.0
  P  P2  1  0.21  0.04  0.48  1.0
  Se  Se3  1  0.51  0.0  0.54  1.0
  Br  Br0  1  0.77  0.04  0.87  1.0

data_P2SeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.47
_cell_length_c   5.82
_cell_angle_alpha   105.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2SeBr
_chemical_formula_sum   'P2 Se1 Br1'
_cell_volume   102.01
_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  0.0  0.52  0.89  1.0
  P  P1  1  0.96  0.79  0.52  1.0
  Se  Se2  1  0.0  0.49  0.46  1.0
  Br  Br3  1  0.96  0.23  0.13  1.0

P P Se Br