data_[Al2Cu2Sn2]
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 [Pmma]
_cell_length_a [4.0468]
_cell_length_b [3.0413]
_cell_length_c [9.7129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [AlCuSn]
_chemical_formula_sum '[Al2 Cu2 Sn2]'
_cell_volume [119.5415]
_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  0.2500  0.0000  0.8662  1
  Cu  Cu1  2  0.2500  0.5000  0.0847  1
  Sn  Sn2  2  0.2500  0.0000  0.3481  1
]