data_CuSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   128.5
_cell_angle_beta   128.5
_cell_angle_gamma   75.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSi2Ru
_chemical_formula_sum   'Cu1 Si2 Ru1'
_cell_volume   51.23
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.92  0.74  1.0
  Si  Si3  1  0.92  0.0  0.74  1.0
  Ru  Ru1  1  0.0  0.0  0.48  1.0

data_CuSi2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   127.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSi2Ru
_chemical_formula_sum   'Cu2 Si4 Ru2'
_cell_volume   102.46
_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
  Si  Si0  4  0.04  0.04  0.82  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.48  1.0

Cu Si Si Ru
Cu Si Si Ru 0 2 - o - 0 1 o - - 1 2 - + o 1 3 o + o 2 3 + o o 