data_TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   9.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo
_chemical_formula_sum   'Te2 Mo2'
_cell_volume   91.54
_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
  Te  Te2  1  0.65  0.95  0.99  1.0
  Te  Te3  1  0.0  0.9  0.78  1.0
  Mo  Mo0  1  0.65  0.95  0.79  1.0
  Mo  Mo1  1  0.0  0.9  0.97  1.0

data_TeMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   9.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeMo
_chemical_formula_sum   'Te2 Mo2'
_cell_volume   91.54
_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
  Te  Te0  2  0.32  0.53  0.61  1.0
  Mo  Mo1  2  0.32  0.53  0.41  1.0

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