data_BiTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   3.67
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   103.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTe2Ru
_chemical_formula_sum   'Bi1 Te2 Ru1'
_cell_volume   110.19
_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
  Bi  Bi0  1  0.37  0.83  0.15  1.0
  Te  Te2  1  0.39  0.83  0.43  1.0
  Te  Te3  1  0.44  0.0  0.05  1.0
  Ru  Ru1  1  0.43  0.0  0.28  1.0

data_BiTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.13
_cell_length_c   7.49
_cell_angle_alpha   103.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTe2Ru
_chemical_formula_sum   'Bi1 Te2 Ru1'
_cell_volume   110.19
_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
  Bi  Bi0  1  0.17  0.63  0.85  1.0
  Te  Te1  1  0.0  0.56  0.95  1.0
  Te  Te2  1  0.17  0.61  0.57  1.0
  Ru  Ru3  1  0.0  0.57  0.72  1.0

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