data_In2SeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SeBr
_chemical_formula_sum   'In2 Se1 Br1'
_cell_volume   126.19
_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  In1  1  0.0  0.0  0.08  1.0
  In  In2  1  0.49  0.0  0.67  1.0
  Se  Se3  1  0.0  0.0  0.54  1.0
  Br  Br0  1  0.49  0.0  0.77  1.0

data_In2SeBr
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.67
_cell_length_b   9.38
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   94.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   In2SeBr
_chemical_formula_sum   'In2 Se1 Br1'
_cell_volume   126.19
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.92  0.0  1.0
  In  In1  1  0.5  0.33  0.0  1.0
  Se  Se2  1  0.0  0.46  0.0  1.0
  Br  Br3  1  0.5  0.23  0.0  1.0

In In Se Br