data_Cr2SiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiRu
_chemical_formula_sum   'Cr2 Si1 Ru1'
_cell_volume   48.78
_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
  Cr  Cr0  1  0.46  0.46  0.05  1.0
  Cr  Cr1  1  0.0  0.0  0.24  1.0
  Si  Si3  1  0.0  0.0  0.31  1.0
  Ru  Ru2  1  0.46  0.46  0.95  1.0

data_Cr2SiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2SiRu
_chemical_formula_sum   'Cr4 Si2 Ru2'
_cell_volume   97.56
_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
  Cr  Cr0  2  0.0  0.0  0.24  1.0
  Cr  Cr1  2  0.46  0.0  0.05  1.0
  Si  Si2  2  0.0  0.0  0.31  1.0
  Ru  Ru3  2  0.46  0.0  0.95  1.0

Cr Cr Si Ru
Cr Cr Si Ru 0 3 o o - 1 2 o o o 