data_Sb2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   55.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeRu
_chemical_formula_sum   'Sb2 Te1 Ru1'
_cell_volume   103.6
_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  0.06  0.0  0.03  1.0
  Sb  Sb2  1  0.0  0.0  0.49  1.0
  Te  Te3  1  0.06  0.0  0.59  1.0
  Ru  Ru0  1  0.0  0.0  0.34  1.0

data_Sb2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   5.14
_cell_length_c   5.52
_cell_angle_alpha   117.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeRu
_chemical_formula_sum   'Sb2 Te1 Ru1'
_cell_volume   103.6
_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  0.49  0.49  1.0
  Sb  Sb1  1  0.94  0.03  0.03  1.0
  Te  Te2  1  0.94  0.59  0.59  1.0
  Ru  Ru3  1  0.0  0.34  0.34  1.0

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