data_[Y16Co4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8660]
_cell_length_b [13.0844]
_cell_length_c [6.1515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4CoRu]
_chemical_formula_sum '[Y16 Co4 Ru4]'
_cell_volume [587.2208]
_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  8  0.1312  0.6798  0.0997  1.0
  Y  Y1  8  0.1995  0.9386  0.2721  1.0
  Co  Co2  4  0.0000  0.4998  0.7500  1.0
  Ru  Ru3  4  0.0000  0.1348  0.2500  1.0
]