data_[Li4Al2Ga1Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-4m2]
_cell_length_a [4.3065]
_cell_length_b [4.3065]
_cell_length_c [6.1710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li4Al2GaCu]
_chemical_formula_sum '[Li4 Al2 Ga1 Cu1]'
_cell_volume [114.4488]
_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
[
  Li  Li0  2  0.0000  0.5000  0.7550  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.5000  0.5000  0.5000  1
  Al  Al3  2  0.0000  0.5000  0.2349  1
  Ga  Ga4  1  0.0000  0.0000  0.5000  1
  Cu  Cu5  1  0.5000  0.5000  0.0000  1
]