data_[Lu6Cd3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4962]
_cell_length_b [3.4962]
_cell_length_c [26.3774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Lu2CdRu]
_chemical_formula_sum '[Lu6 Cd3 Ru3]'
_cell_volume [279.2200]
_cell_formula_units_Z [3]
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
[
  Lu  Lu0  6  0.0000  0.0000  0.2627  1
  Cd  Cd1  3  -0.0000  -0.0000  0.5000  1
  Ru  Ru2  3  0.0000  0.0000  0.0000  1
]