data_[Al2Cu12Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2213]
_cell_length_b [5.3804]
_cell_length_c [9.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlCu6Sn]
_chemical_formula_sum '[Al2 Cu12 Sn2]'
_cell_volume [217.9528]
_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  0.0000  0.0000  0.9179  1.0
  Cu  Cu1  4  0.0000  0.2344  0.1737  1.0
  Cu  Cu2  4  0.5000  0.2483  0.8330  1.0
  Cu  Cu3  2  0.0000  0.0000  0.4052  1.0
  Cu  Cu4  2  0.5000  0.0000  0.0818  1.0
  Sn  Sn5  2  0.5000  0.0000  0.5820  1.0
]