data_[Al2Ga8Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P222]
_cell_length_a [5.1932]
_cell_length_b [6.2135]
_cell_length_c [6.5102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [16]
_chemical_formula_structural [AlGa4Cu]
_chemical_formula_sum '[Al2 Ga8 Cu2]'
_cell_volume [210.0721]
_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  1  0.0000  0.0000  0.0000  1
  Al  Al1  1  0.5000  0.5000  0.0000  1
  Ga  Ga2  4  0.2158  0.3377  0.3399  1
  Ga  Ga3  4  0.3175  0.1849  0.7478  1
  Cu  Cu4  1  0.0000  0.0000  0.5000  1
  Cu  Cu5  1  0.0000  0.5000  0.0000  1
]