data_[Li4Ga16Ge4]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3572]
_cell_length_b [5.8277]
_cell_length_c [9.6283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiGa4Ge]
_chemical_formula_sum '[Li4 Ga16 Ge4]'
_cell_volume [437.7811]
_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  4  0.2500  0.2500  0.0000  1.0
  Ga  Ga1  8  0.0813  0.2208  0.4754  1.0
  Ga  Ga2  8  0.1626  0.4752  0.2315  1.0
  Ge  Ge3  4  0.0000  0.1062  0.7500  1.0
]