data_InTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTeMo2
_chemical_formula_sum   'In1 Te1 Mo2'
_cell_volume   85.02
_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  0.15  1.0
  Te  Te3  1  0.68  0.0  0.49  1.0
  Mo  Mo1  1  0.68  0.0  0.79  1.0
  Mo  Mo2  1  0.0  0.0  0.89  1.0

data_InTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTeMo2
_chemical_formula_sum   'In1 Te1 Mo2'
_cell_volume   85.02
_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  0.15  1.0
  Te  Te1  1  0.68  0.0  0.49  1.0
  Mo  Mo2  1  0.0  0.0  0.89  1.0
  Mo  Mo3  1  0.68  0.0  0.79  1.0

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