data_[Al2Cu2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.9867]
_cell_length_b [5.9867]
_cell_length_c [8.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [AlCuPb3]
_chemical_formula_sum '[Al2 Cu2 Pb6]'
_cell_volume [268.4374]
_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
[
  Al  Al0  2  0.3333  0.6667  0.5000  1
  Cu  Cu1  2  0.0000  0.0000  0.3687  1
  Pb  Pb2  6  0.0000  0.3533  0.8215  1
]