data_[Ba2Lu2Al8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Amm2]
_cell_length_a [5.3477]
_cell_length_b [5.2452]
_cell_length_c [16.2795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaLu(Al2Cu)2]
_chemical_formula_sum '[Ba2 Lu2 Al8 Cu4]'
_cell_volume [456.6336]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.6386  1
  Lu  Lu1  2  0.0000  0.0000  0.0014  1
  Al  Al2  4  0.2533  0.0000  0.4275  1
  Al  Al3  4  0.2683  0.0000  0.1820  1
  Cu  Cu4  2  0.0000  0.0000  0.3025  1
  Cu  Cu5  2  0.0000  0.0000  0.8385  1
]