data_[Li16Ga4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7967]
_cell_length_b [6.5200]
_cell_length_c [12.7330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4GaCu]
_chemical_formula_sum '[Li16 Ga4 Cu4]'
_cell_volume [398.2183]
_cell_formula_units_Z [4]
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  8  0.0000  0.2713  0.3678  1
  Li  Li1  4  0.0000  0.1793  0.0000  1
  Li  Li2  4  0.0000  0.5000  0.1787  1
  Ga  Ga3  4  0.0000  0.0000  0.1980  1
  Cu  Cu4  4  0.2396  0.0000  0.5000  1
]