data_InTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   33.42
_cell_angle_beta   33.42
_cell_angle_gamma   33.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Se
_chemical_formula_sum   'In1 Te2 Se1'
_cell_volume   114.8
_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  0.0  0.64  1.0
  Te  Te2  1  0.0  0.0  0.29  1.0
  Te  Te3  1  0.0  0.0  0.99  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_InTe2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.49
_cell_length_b   4.32
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InTe2Se
_chemical_formula_sum   'In2 Te4 Se2'
_cell_volume   229.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.36  1.0
  Te  Te1  2  0.0  0.0  0.01  1.0
  Te  Te2  2  0.0  0.0  0.71  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

In Te Te Se