data_CuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   2.65
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRu
_chemical_formula_sum   'Cu2 Ru2'
_cell_volume   52.7
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.21  0.0  0.97  1.0
  Cu  Cu1  1  0.07  0.0  0.68  1.0
  Ru  Ru2  1  0.21  0.32  0.65  1.0
  Ru  Ru3  1  0.07  0.32  0.0  1.0

data_CuRu
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.28
_cell_length_b   2.65
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CuRu
_chemical_formula_sum   'Cu2 Ru2'
_cell_volume   52.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cu  Cu0  2  0.07  0.0  0.65  1.0
  Ru  Ru1  2  0.07  0.32  0.32  1.0

Cu Cu Ru Ru