data_[La6Al8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7688]
_cell_length_b [4.5959]
_cell_length_c [8.6343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(Al2Cu)2]
_chemical_formula_sum '[La6 Al8 Cu4]'
_cell_volume [418.6921]
_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
[
  La  La0  4  0.1192  0.5000  0.6950  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1070  0.0000  0.4239  1.0
  Al  Al3  4  0.2205  0.5000  0.0771  1.0
  Cu  Cu4  4  0.1774  0.5000  0.3479  1.0
]