data_CrCo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.44
_cell_angle_alpha   98.98
_cell_angle_beta   98.98
_cell_angle_gamma   33.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2Ru
_chemical_formula_sum   'Cr1 Co2 Ru1'
_cell_volume   46.54
_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  Cr2  1  0.79  0.0  0.11  1.0
  Co  Co0  1  0.0  0.0  0.03  1.0
  Co  Co1  1  0.1  0.0  0.11  1.0
  Ru  Ru3  1  0.55  0.0  0.32  1.0

data_CrCo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   4.37
_cell_length_c   4.44
_cell_angle_alpha   98.98
_cell_angle_beta   90.0
_cell_angle_gamma   106.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2Ru
_chemical_formula_sum   'Cr1 Co2 Ru1'
_cell_volume   46.54
_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  0.21  0.89  1.0
  Co  Co1  1  0.0  0.9  0.89  1.0
  Co  Co2  1  0.0  1.0  0.97  1.0
  Ru  Ru3  1  0.0  0.45  0.68  1.0

Cr Co Co Ru