data_[Al4Ga1Cu8]
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 [Pmm2]
_cell_length_a [3.4913]
_cell_length_b [3.7484]
_cell_length_c [13.7119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Al4GaCu8]
_chemical_formula_sum '[Al4 Ga1 Cu8]'
_cell_volume [179.4449]
_cell_formula_units_Z [1]
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  0.9520  1
  Al  Al1  1  0.0000  0.5000  0.1037  1
  Al  Al2  1  0.5000  0.0000  0.3719  1
  Al  Al3  1  0.5000  0.5000  0.5374  1
  Ga  Ga4  1  0.0000  0.0000  0.6822  1
  Cu  Cu5  1  0.0000  0.0000  0.2345  1
  Cu  Cu6  1  0.0000  0.0000  0.5088  1
  Cu  Cu7  1  0.0000  0.5000  0.3802  1
  Cu  Cu8  1  0.0000  0.5000  0.8162  1
  Cu  Cu9  1  0.5000  0.0000  0.0946  1
  Cu  Cu10  1  0.5000  0.0000  0.8168  1
  Cu  Cu11  1  0.5000  0.5000  0.2402  1
  Cu  Cu12  1  0.5000  0.5000  0.9585  1
]