data_[Al4Cu15Ge1]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6717]
_cell_length_b [3.6717]
_cell_length_c [18.6350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Al4Cu15Ge]
_chemical_formula_sum '[Al4 Cu15 Ge1]'
_cell_volume [251.2218]
_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  2  0.0000  0.0000  0.2002  1
  Al  Al1  2  0.0000  0.0000  0.3997  1
  Cu  Cu2  4  0.0000  0.5000  0.1007  1
  Cu  Cu3  4  0.0000  0.5000  0.3001  1
  Cu  Cu4  2  0.0000  0.5000  0.5000  1
  Cu  Cu5  2  0.5000  0.5000  0.1997  1
  Cu  Cu6  2  0.5000  0.5000  0.3995  1
  Cu  Cu7  1  0.5000  0.5000  0.0000  1
  Ge  Ge8  1  0.0000  0.0000  0.0000  1
]