data_GaSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   3.5
_cell_angle_alpha   104.62
_cell_angle_beta   104.62
_cell_angle_gamma   101.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSbBr2
_chemical_formula_sum   'Ga1 Sb1 Br2'
_cell_volume   114.33
_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  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.81  0.0  0.0  1.0
  Br  Br0  1  0.9  0.66  0.0  1.0
  Br  Br1  1  0.9  0.34  0.0  1.0

data_GaSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   101.65
_cell_angle_beta   104.62
_cell_angle_gamma   104.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSbBr2
_chemical_formula_sum   'Ga1 Sb1 Br2'
_cell_volume   114.33
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.81  0.0  1.0
  Br  Br2  1  -0.0  0.9  0.34  1.0
  Br  Br3  1  -0.0  0.9  0.66  1.0

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