data_SiPBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.26
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   93.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPBr2
_chemical_formula_sum   'Si1 P1 Br2'
_cell_volume   93.1
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  P  P2  1  0.03  0.0  0.49  1.0
  Br  Br0  1  0.85  0.13  0.73  1.0
  Br  Br1  1  0.21  0.13  0.25  1.0

data_SiPBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.39
_cell_length_c   4.99
_cell_angle_alpha   93.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPBr2
_chemical_formula_sum   'Si1 P1 Br2'
_cell_volume   93.1
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.97  0.51  1.0
  Br  Br2  1  0.87  0.15  0.27  1.0
  Br  Br3  1  0.87  0.79  0.75  1.0

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