data_SbP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.54
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbP2Br
_chemical_formula_sum   'Sb1 P2 Br1'
_cell_volume   95.51
_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
  Sb  Sb3  1  0.63  0.27  0.29  1.0
  P  P1  1  0.59  0.27  0.62  1.0
  P  P2  1  0.39  0.0  0.02  1.0
  Br  Br0  1  0.54  0.0  0.89  1.0

data_SbP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.54
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbP2Br
_chemical_formula_sum   'Sb1 P2 Br1'
_cell_volume   95.51
_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
  Sb  Sb0  1  0.63  0.27  0.29  1.0
  P  P1  1  0.39  0.0  0.02  1.0
  P  P2  1  0.59  0.27  0.62  1.0
  Br  Br3  1  0.54  0.0  0.89  1.0

Sb P P Br
Sb P P Br 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o - 