data_[Li12Ga4Cu8]
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 [C2/c]
_cell_length_a [6.4028]
_cell_length_b [7.2930]
_cell_length_c [6.7974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3GaCu2]
_chemical_formula_sum '[Li12 Ga4 Cu8]'
_cell_volume [312.0048]
_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  0.2473  0.0880  0.9913  1.0
  Li  Li1  4  0.0000  0.4443  0.2500  1.0
  Ga  Ga2  4  0.0000  0.1022  0.2500  1.0
  Cu  Cu3  8  0.1301  0.2355  0.6274  1.0
]