data_[La3Lu6Al21Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Lu  1.2700  1.7500  1.0010
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4902]
_cell_length_b [5.4902]
_cell_length_c [25.4967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LaLu2Al7Cu2]
_chemical_formula_sum '[La3 Lu6 Al21 Cu6]'
_cell_volume [665.5779]
_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
[
  La  La0  3  0.0000  0.0000  0.0000  1
  Lu  Lu1  6  0.0000  0.0000  0.1423  1
  Al  Al2  18  0.0064  0.5032  0.9193  1
  Al  Al3  3  -0.0000  -0.0000  0.5000  1
  Cu  Cu4  6  0.0000  0.0000  0.3352  1
]