data_CoCu2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.57
_cell_angle_alpha   99.11
_cell_angle_beta   99.11
_cell_angle_gamma   33.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Ru
_chemical_formula_sum   'Co1 Cu2 Ru1'
_cell_volume   49.13
_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
  Co  Co0  1  0.59  0.0  0.29  1.0
  Cu  Cu1  1  0.53  0.0  0.07  1.0
  Cu  Cu2  1  0.23  0.0  0.04  1.0
  Ru  Ru3  1  0.91  0.0  0.36  1.0

data_CoCu2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.46
_cell_length_c   4.57
_cell_angle_alpha   99.11
_cell_angle_beta   90.0
_cell_angle_gamma   106.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Ru
_chemical_formula_sum   'Co1 Cu2 Ru1'
_cell_volume   49.13
_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
  Co  Co0  1  0.0  0.41  0.71  1.0
  Cu  Cu1  1  0.0  0.47  0.93  1.0
  Cu  Cu2  1  0.0  0.77  0.96  1.0
  Ru  Ru3  1  0.0  0.09  0.64  1.0

Co Cu Cu Ru