data_[Na2Al12Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2955]
_cell_length_b [3.9469]
_cell_length_c [10.3794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na(Al2Cu)3]
_chemical_formula_sum '[Na2 Al12 Cu6]'
_cell_volume [333.2315]
_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
[
  Na  Na0  2  0.0075  0.2500  0.7649  1
  Al  Al1  2  0.0939  0.2500  0.4591  1
  Al  Al2  2  0.2155  0.7500  0.9356  1
  Al  Al3  2  0.2364  0.7500  0.6717  1
  Al  Al4  2  0.3261  0.7500  0.2132  1
  Al  Al5  2  0.4221  0.2500  0.5767  1
  Al  Al6  2  0.4401  0.2500  0.0761  1
  Cu  Cu7  2  0.1193  0.2500  0.0575  1
  Cu  Cu8  2  0.2870  0.7500  0.4435  1
  Cu  Cu9  2  0.3720  0.2500  0.8225  1
]