data_Cr2CuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.24
_cell_angle_alpha   103.32
_cell_angle_beta   103.32
_cell_angle_gamma   34.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuRu
_chemical_formula_sum   'Cr2 Cu1 Ru1'
_cell_volume   49.7
_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  0.34  0.0  0.05  1.0
  Cr  Cr1  1  0.43  0.0  0.06  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.88  0.0  0.06  1.0

data_Cr2CuRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.24
_cell_length_c   4.6
_cell_angle_alpha   103.32
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuRu
_chemical_formula_sum   'Cr2 Cu1 Ru1'
_cell_volume   49.7
_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  0.05  0.34  1.0
  Cr  Cr1  1  0.0  0.06  0.43  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.06  0.88  1.0

Cr Cr Cu Ru