data_GaPBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   3.74
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   103.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPBr2
_chemical_formula_sum   'Ga1 P1 Br2'
_cell_volume   113.54
_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
  Ga  Ga2  1  0.28  0.0  0.94  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.43  0.87  0.61  1.0
  Br  Br1  1  0.31  0.87  0.26  1.0

data_GaPBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.18
_cell_length_c   6.04
_cell_angle_alpha   103.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPBr2
_chemical_formula_sum   'Ga1 P1 Br2'
_cell_volume   113.54
_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
  Ga  Ga0  1  0.0  0.72  0.06  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.13  0.57  0.39  1.0
  Br  Br3  1  0.13  0.69  0.74  1.0

Ga P Br Br