data_Cr2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   143.28
_cell_angle_beta   129.37
_cell_angle_gamma   64.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiRu
_chemical_formula_sum   'Cr2 Ni1 Ru1'
_cell_volume   49.01
_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  0.14  1.0
  Cr  Cr1  1  0.5  0.0  0.89  1.0
  Ni  Ni2  1  0.0  0.0  0.91  1.0
  Ru  Ru3  1  0.0  0.03  0.12  1.0

data_Cr2NiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.06
_cell_length_c   4.75
_cell_angle_alpha   115.31
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiRu
_chemical_formula_sum   'Cr2 Ni1 Ru1'
_cell_volume   49.01
_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  0.14  0.14  1.0
  Cr  Cr1  1  0.0  0.89  0.39  1.0
  Ni  Ni2  1  0.0  0.91  0.91  1.0
  Ru  Ru3  1  0.97  0.09  0.09  1.0

Cr Cr Ni Ru