data_In2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.54
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   108.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AsBr
_chemical_formula_sum   'In2 As1 Br1'
_cell_volume   109.53
_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  0.06  0.27  0.38  1.0
  In  In3  1  0.19  0.27  0.36  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.02  0.0  0.87  1.0

data_In2AsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.54
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   108.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AsBr
_chemical_formula_sum   'In2 As1 Br1'
_cell_volume   109.53
_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  0.06  0.27  0.38  1.0
  In  In1  1  0.19  0.27  0.36  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.02  0.0  0.87  1.0

In In As Br