data_In2GaBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   5.28
_cell_angle_alpha   104.67
_cell_angle_beta   104.67
_cell_angle_gamma   34.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaBr
_chemical_formula_sum   'In2 Ga1 Br1'
_cell_volume   109.58
_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
  In  In2  1  0.11  0.0  0.86  1.0
  In  In3  1  0.33  0.0  0.24  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.22  0.0  0.55  1.0

data_In2GaBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.28
_cell_length_c   6.19
_cell_angle_alpha   104.67
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaBr
_chemical_formula_sum   'In2 Ga1 Br1'
_cell_volume   109.58
_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
  In  In0  1  0.0  0.24  0.33  1.0
  In  In1  1  0.0  0.86  0.11  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.55  0.22  1.0

In In Ga Br