data_InTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   4.18
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Se
_chemical_formula_sum   'In1 Te2 Se1'
_cell_volume   116.38
_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  0.74  0.09  0.45  1.0
  Te  Te2  1  0.39  0.09  0.2  1.0
  Te  Te3  1  0.96  0.0  0.96  1.0
  Se  Se1  1  0.39  0.0  0.49  1.0

data_InTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   5.31
_cell_length_c   5.58
_cell_angle_alpha   110.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Se
_chemical_formula_sum   'In1 Te2 Se1'
_cell_volume   116.38
_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  0.91  0.26  0.55  1.0
  Te  Te1  1  0.0  0.04  0.04  1.0
  Te  Te2  1  0.91  0.61  0.8  1.0
  Se  Se3  1  0.0  0.61  0.51  1.0

In Te Te Se