data_In2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   5.88
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   97.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TeBr
_chemical_formula_sum   'In2 Te1 Br1'
_cell_volume   128.74
_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  0.17  0.94  0.4  1.0
  In  In2  1  0.27  0.0  0.52  1.0
  Te  Te3  1  0.57  0.94  0.34  1.0
  Br  Br0  1  0.04  0.0  0.78  1.0

data_In2TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.4
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TeBr
_chemical_formula_sum   'In2 Te1 Br1'
_cell_volume   128.74
_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  0.73  0.48  0.0  1.0
  In  In1  1  0.83  0.6  0.06  1.0
  Te  Te2  1  0.43  0.66  0.06  1.0
  Br  Br3  1  0.96  0.22  0.0  1.0

In In Te Br