data_CoTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.7
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTe2Ru
_chemical_formula_sum   'Co1 Te2 Ru1'
_cell_volume   83.97
_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
  Co  Co0  1  0.0  0.0  0.39  1.0
  Te  Te2  1  0.0  0.0  0.79  1.0
  Te  Te3  1  0.63  0.85  0.41  1.0
  Ru  Ru1  1  0.63  0.85  0.85  1.0

data_CoTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.7
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTe2Ru
_chemical_formula_sum   'Co1 Te2 Ru1'
_cell_volume   83.97
_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
  Co  Co0  1  0.0  0.0  0.39  1.0
  Te  Te1  1  0.0  0.0  0.79  1.0
  Te  Te2  1  0.63  0.85  0.41  1.0
  Ru  Ru3  1  0.63  0.85  0.85  1.0

Co Te Te Ru
Co Te Te Ru 0 2 - - o 1 3 - - o 