data_[Li8Ga12Cu20]
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 [8.9101]
_cell_length_b [12.0453]
_cell_length_c [5.0789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Ga3Cu5]
_chemical_formula_sum '[Li8 Ga12 Cu20]'
_cell_volume [543.5702]
_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  0.1244  0.2546  0.6188  1
  Ga  Ga1  8  0.1344  0.3519  0.1128  1
  Ga  Ga2  4  0.0000  0.0463  0.7500  1
  Cu  Cu3  8  0.1204  0.1502  0.1351  1
  Cu  Cu4  8  0.2486  0.0380  0.5042  1
  Cu  Cu5  4  0.0000  0.4650  0.7500  1
]