data_In(TeMo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In(TeMo)3
_chemical_formula_sum   'In2 Te6 Mo6'
_cell_volume   363.59
_cell_formula_units_Z   2
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  0.51  0.15  1.0
  In  In1  1  0.77  0.75  0.46  1.0
  Te  Te8  1  0.25  0.47  0.15  1.0
  Te  Te9  1  0.52  0.58  0.15  1.0
  Te  Te10  1  0.55  0.22  0.15  1.0
  Te  Te11  1  0.22  0.04  0.46  1.0
  Te  Te12  1  0.25  0.69  0.46  1.0
  Te  Te13  1  0.53  0.8  0.46  1.0
  Mo  Mo2  1  0.58  0.43  0.15  1.0
  Mo  Mo3  1  0.17  0.05  0.15  1.0
  Mo  Mo4  1  0.25  0.05  0.15  1.0
  Mo  Mo5  1  0.52  0.21  0.46  1.0
  Mo  Mo6  1  0.6  0.21  0.46  1.0
  Mo  Mo7  1  0.19  0.84  0.46  1.0

data_In(TeMo)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.61
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   In(TeMo)3
_chemical_formula_sum   'In2 Te6 Mo6'
_cell_volume   363.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.39  0.62  1.0
  Te  Te1  2  0.15  0.14  0.67  1.0
  Te  Te2  2  0.15  0.83  0.91  1.0
  Te  Te3  2  0.15  0.87  0.55  1.0
  Mo  Mo4  2  0.15  0.14  0.08  1.0
  Mo  Mo5  2  0.15  0.21  0.08  1.0
  Mo  Mo6  2  0.15  0.81  0.71  1.0

In In Te Te Te Te Te Te Mo Mo Mo Mo Mo Mo
In In Te Te Te Te Te Te Mo Mo Mo Mo Mo Mo 0 2 o o o 0 6 o o o 1 3 o o o 1 7 o o o 2 6 o o o 2 3 o o o 3 8 o o o 3 7 o o o 4 11 o o o 4 12 o o o 4 8 o o o 5 9 o o o 5 10 o o o 5 13 o - o 6 13 o o o 6 7 o o o 9 10 o o o 11 12 o o o 