data_YCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.26
_cell_angle_alpha   107.07
_cell_angle_beta   107.07
_cell_angle_gamma   37.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Ru
_chemical_formula_sum   'Y1 Cr2 Ru1'
_cell_volume   67.26
_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
  Y  Y3  1  0.02  0.0  0.73  1.0
  Cr  Cr0  1  0.21  0.0  0.47  1.0
  Cr  Cr1  1  0.23  0.0  0.2  1.0
  Ru  Ru2  1  0.52  0.0  0.11  1.0

data_YCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.72
_cell_length_c   5.26
_cell_angle_alpha   107.07
_cell_angle_beta   90.0
_cell_angle_gamma   108.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Ru
_chemical_formula_sum   'Y1 Cr2 Ru1'
_cell_volume   67.26
_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
  Y  Y0  1  0.0  0.98  0.27  1.0
  Cr  Cr1  1  0.0  0.77  0.8  1.0
  Cr  Cr2  1  0.0  0.79  0.53  1.0
  Ru  Ru3  1  0.0  0.48  0.89  1.0

Y Cr Cr Ru
Y Cr Cr Ru 0 1 o o o 1 2 o o o 2 3 o o o 