data_Te2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   3.69
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Mo
_chemical_formula_sum   'Te8 Mo4'
_cell_volume   281.36
_cell_formula_units_Z   4
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
  Te  Te4  1  0.92  0.92  0.6  1.0
  Te  Te5  1  0.68  0.77  0.53  1.0
  Te  Te6  1  0.06  0.92  0.32  1.0
  Te  Te7  1  0.81  0.77  0.25  1.0
  Te  Te8  1  0.84  0.92  0.81  1.0
  Te  Te9  1  0.76  0.77  0.88  1.0
  Te  Te10  1  0.97  0.92  0.96  1.0
  Te  Te11  1  0.89  0.77  0.04  1.0
  Mo  Mo0  1  0.95  0.92  0.01  1.0
  Mo  Mo1  1  0.92  0.77  0.09  1.0
  Mo  Mo2  1  0.81  0.92  0.76  1.0
  Mo  Mo3  1  0.79  0.77  0.84  1.0

data_Te2Mo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.69
_cell_length_b   7.73
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Te2Mo
_chemical_formula_sum   'Te8 Mo4'
_cell_volume   281.36
_cell_formula_units_Z   4
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
  Te  Te0  2  0.08  0.11  0.04  1.0
  Te  Te1  2  0.08  0.19  0.4  1.0
  Te  Te2  2  0.08  0.06  0.68  1.0
  Te  Te3  2  0.08  0.97  0.88  1.0
  Mo  Mo4  2  0.08  0.95  0.84  1.0
  Mo  Mo5  2  0.08  0.08  0.09  1.0

Te Te Te Te Te Te Te Te Mo Mo Mo Mo