data_[Y4Cu4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5283]
_cell_length_b [5.3647]
_cell_length_c [5.1339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCuRu]
_chemical_formula_sum '[Y4 Cu4 Ru4]'
_cell_volume [221.2639]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.1411  0.5000  0.8808  1
  Cu  Cu1  4  0.2500  0.2500  0.5000  1
  Ru  Ru2  4  0.0105  0.0000  0.7678  1
]