data_Sb2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.37
_cell_angle_alpha   103.59
_cell_angle_beta   103.59
_cell_angle_gamma   36.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeMo
_chemical_formula_sum   'Sb2 Te1 Mo1'
_cell_volume   95.19
_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  0.24  0.0  0.11  1.0
  Sb  Sb2  1  0.02  0.0  0.09  1.0
  Te  Te3  1  0.63  0.0  0.6  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   3.46
_cell_length_b   5.37
_cell_length_c   5.57
_cell_angle_alpha   103.59
_cell_angle_beta   108.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeMo
_chemical_formula_sum   'Sb2 Te1 Mo1'
_cell_volume   95.19
_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  0.09  0.02  1.0
  Sb  Sb1  1  0.0  0.11  0.24  1.0
  Te  Te2  1  0.0  0.6  0.63  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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