data_CrNi2Ru
_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   132.37
_cell_angle_beta   130.57
_cell_angle_gamma   71.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Ru
_chemical_formula_sum   'Cr1 Ni2 Ru1'
_cell_volume   47.04
_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  0.38  1.0
  Ni  Ni1  1  0.0  0.84  0.57  1.0
  Ni  Ni2  1  0.0  0.0  0.79  1.0
  Ru  Ru3  1  0.0  0.84  0.02  1.0

data_CrNi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.69
_cell_length_c   4.41
_cell_angle_alpha   114.72
_cell_angle_beta   113.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Ru
_chemical_formula_sum   'Cr1 Ni2 Ru1'
_cell_volume   47.04
_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  0.38  0.38  1.0
  Ni  Ni1  1  0.0  0.79  0.79  1.0
  Ni  Ni2  1  0.16  0.73  0.73  1.0
  Ru  Ru3  1  0.16  0.17  0.17  1.0

Cr Ni Ni Ru
Cr Ni Ni Ru 0 3 o - o 0 1 o - o 1 2 o + o 