data_SbTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   129.83
_cell_angle_beta   129.83
_cell_angle_gamma   73.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeMo2
_chemical_formula_sum   'Sb1 Te1 Mo2'
_cell_volume   77.62
_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  0.1  1.0
  Te  Te3  1  0.0  0.17  0.05  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.17  0.0  0.05  1.0

data_SbTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.13
_cell_angle_alpha   115.09
_cell_angle_beta   115.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeMo2
_chemical_formula_sum   'Sb1 Te1 Mo2'
_cell_volume   77.62
_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  0.9  0.0  0.9  1.0
  Te  Te1  1  0.12  0.17  0.12  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.95  0.0  0.12  1.0

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