data_[U2Al22Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  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 [5.2533]
_cell_length_b [12.6264]
_cell_length_c [7.0109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UAl11Cu]
_chemical_formula_sum '[U2 Al22 Cu2]'
_cell_volume [437.0252]
_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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.1030  0.6057  0.2193  1
  Al  Al2  8  0.1746  0.1757  0.3537  1
  Al  Al3  4  0.2500  0.2500  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Cu  Cu5  2  0.0000  0.5000  0.5000  1
]