data_Sb2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   5.12
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeMo
_chemical_formula_sum   'Sb2 Te1 Mo1'
_cell_volume   94.2
_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  Sb1  1  0.0  0.56  0.64  1.0
  Sb  Sb2  1  0.74  0.0  0.64  1.0
  Te  Te3  1  0.74  0.56  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Sb2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.12
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeMo
_chemical_formula_sum   'Sb2 Te1 Mo1'
_cell_volume   94.2
_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  0.56  0.64  1.0
  Sb  Sb1  1  0.74  0.0  0.64  1.0
  Te  Te2  1  0.74  0.56  -0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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