data_SbTeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.63
_cell_angle_alpha   101.02
_cell_angle_beta   101.02
_cell_angle_gamma   38.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeRu2
_chemical_formula_sum   'Sb1 Te1 Ru2'
_cell_volume   73.62
_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  0.4  0.0  0.91  1.0
  Te  Te3  1  0.65  0.0  0.83  1.0
  Ru  Ru0  1  0.61  0.0  0.19  1.0
  Ru  Ru1  1  0.12  0.0  0.41  1.0

data_SbTeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.63
_cell_length_c   5.11
_cell_angle_alpha   101.02
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeRu2
_chemical_formula_sum   'Sb1 Te1 Ru2'
_cell_volume   73.62
_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  0.0  0.91  0.4  1.0
  Te  Te1  1  0.0  0.83  0.65  1.0
  Ru  Ru2  1  0.0  0.19  0.61  1.0
  Ru  Ru3  1  0.0  0.41  0.12  1.0

Sb Te Ru Ru
Sb Te Ru Ru 0 1 o o o 0 2 o o + 0 3 o o + 0 3 o o o 1 2 o o + 1 3 o o o 2 3 + o o 2 3 o o o 