data_CrSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   144.38
_cell_angle_beta   120.29
_cell_angle_gamma   71.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Ru
_chemical_formula_sum   'Cr1 Si2 Ru1'
_cell_volume   51.92
_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  0.0  0.0  0.0  1.0
  Si  Si2  1  0.44  0.0  0.87  1.0
  Si  Si3  1  0.0  0.35  0.96  1.0
  Ru  Ru1  1  0.0  0.0  0.83  1.0

data_CrSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.7
_cell_length_c   4.72
_cell_angle_alpha   119.85
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Ru
_chemical_formula_sum   'Cr1 Si2 Ru1'
_cell_volume   51.92
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.87  0.43  1.0
  Si  Si2  1  0.65  0.61  0.61  1.0
  Ru  Ru3  1  0.0  0.83  0.83  1.0

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