data_CoTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   153.84
_cell_angle_beta   147.2
_cell_angle_gamma   42.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTe2Ru
_chemical_formula_sum   'Co1 Te2 Ru1'
_cell_volume   84.94
_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  0.77  1.0
  Te  Te2  1  0.0  0.0  0.15  1.0
  Te  Te3  1  0.6  0.0  0.25  1.0
  Ru  Ru1  1  0.0  0.0  0.27  1.0

data_CoTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.0
_cell_length_c   7.09
_cell_angle_alpha   106.4
_cell_angle_beta   103.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTe2Ru
_chemical_formula_sum   'Co1 Te2 Ru1'
_cell_volume   84.94
_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  0.23  0.23  0.23  1.0
  Te  Te1  1  0.35  0.75  0.35  1.0
  Te  Te2  1  0.85  0.85  0.85  1.0
  Ru  Ru3  1  0.73  0.73  0.73  1.0

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