data_CoSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   153.71
_cell_angle_beta   144.24
_cell_angle_gamma   44.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Ru
_chemical_formula_sum   'Co1 Sb2 Ru1'
_cell_volume   82.47
_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  0.58  1.0
  Sb  Sb2  1  0.0  0.0  0.49  1.0
  Sb  Sb3  1  0.55  0.0  0.28  1.0
  Ru  Ru1  1  0.0  0.1  0.92  1.0

data_CoSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.2
_cell_length_c   6.84
_cell_angle_alpha   107.88
_cell_angle_beta   103.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Ru
_chemical_formula_sum   'Co1 Sb2 Ru1'
_cell_volume   82.47
_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  0.58  0.58  1.0
  Sb  Sb1  1  0.0  0.28  0.72  1.0
  Sb  Sb2  1  0.0  0.49  0.49  1.0
  Ru  Ru3  1  0.9  0.82  0.82  1.0

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