data_CoSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   21.19
_cell_angle_beta   21.19
_cell_angle_gamma   21.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi2Ru
_chemical_formula_sum   'Co1 Si2 Ru1'
_cell_volume   49.43
_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  0.0  1.0
  Si  Si2  1  0.0  0.0  0.62  1.0
  Si  Si3  1  0.0  0.0  0.54  1.0
  Ru  Ru1  1  0.0  0.0  0.08  1.0

data_CoSi2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   2.78
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   102.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoSi2Ru
_chemical_formula_sum   'Co2 Si4 Ru2'
_cell_volume   98.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.38  1.0
  Si  Si2  2  0.0  0.0  0.46  1.0
  Ru  Ru3  2  0.0  0.0  0.92  1.0

Co Si Si Ru
Co Si Si Ru 0 3 o o o 1 2 o o o 