data_InTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   139.99
_cell_angle_beta   65.94
_cell_angle_gamma   129.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe3
_chemical_formula_sum   'In1 Te3'
_cell_volume   135.59
_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  0.22  1.0
  Te  Te1  1  0.24  0.0  0.6  1.0
  Te  Te2  1  0.24  0.01  0.05  1.0
  Te  Te3  1  0.0  0.47  0.82  1.0

data_InTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   5.53
_cell_length_c   6.53
_cell_angle_alpha   115.04
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe3
_chemical_formula_sum   'In1 Te3'
_cell_volume   135.59
_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  0.22  0.22  0.22  1.0
  Te  Te1  1  0.05  0.04  0.28  1.0
  Te  Te2  1  0.6  0.6  0.83  1.0
  Te  Te3  1  0.82  0.35  0.35  1.0

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