data_InTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   3.25
_cell_angle_alpha   99.89
_cell_angle_beta   99.89
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Se
_chemical_formula_sum   'In1 Te2 Se1'
_cell_volume   107.8
_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  0.28  0.0  0.0  1.0
  Te  Te2  1  0.1  0.68  0.54  1.0
  Te  Te3  1  0.1  0.32  0.54  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_InTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   117.07
_cell_angle_beta   99.89
_cell_angle_gamma   99.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Se
_chemical_formula_sum   'In1 Te2 Se1'
_cell_volume   107.8
_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  0.28  0.0  1.0
  Te  Te1  1  0.54  0.1  0.32  1.0
  Te  Te2  1  0.54  0.1  0.68  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

In Te Te Se
In Te Te Se 0 1 o - - 0 3 o o o 1 2 o o o 2 3 o o o 