data_[Y12Cu10Ru2]
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 [Cmmm]
_cell_length_a [4.9211]
_cell_length_b [14.7525]
_cell_length_c [6.9260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y6Cu5Ru]
_chemical_formula_sum '[Y12 Cu10 Ru2]'
_cell_volume [502.8193]
_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
[
  Y  Y0  8  0.0000  0.1641  0.2468  1
  Y  Y1  4  0.0000  0.5000  0.2438  1
  Cu  Cu2  4  0.0000  0.3322  0.0000  1
  Cu  Cu3  4  0.0000  0.3355  0.5000  1
  Cu  Cu4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
]