data_SbTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeMo2
_chemical_formula_sum   'Sb1 Te1 Mo2'
_cell_volume   79.16
_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
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.34  1.0
  Mo  Mo0  1  0.69  0.0  0.52  1.0
  Mo  Mo1  1  0.69  0.0  0.16  1.0

data_SbTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeMo2
_chemical_formula_sum   'Sb1 Te1 Mo2'
_cell_volume   79.16
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.34  1.0
  Mo  Mo2  1  0.69  0.0  0.16  1.0
  Mo  Mo3  1  0.69  0.0  0.52  1.0

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