data_CoCu2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.46
_cell_angle_alpha   99.61
_cell_angle_beta   99.61
_cell_angle_gamma   32.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Ru
_chemical_formula_sum   'Co1 Cu2 Ru1'
_cell_volume   49.05
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.62  0.0  0.31  1.0
  Cu  Cu2  1  0.38  0.0  0.08  1.0
  Ru  Ru3  1  0.0  0.0  0.2  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   99.61
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Ru
_chemical_formula_sum   'Co1 Cu2 Ru1'
_cell_volume   49.05
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.08  0.38  1.0
  Cu  Cu2  1  0.0  0.31  0.62  1.0
  Ru  Ru3  1  0.0  0.2  0.0  1.0

Co Cu Cu Ru
Co Cu Cu Ru 0 3 o o o 0 2 o o o 1 2 o o o 