data_[Li16Ga2Ge4]
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/m]
_cell_length_a [13.4519]
_cell_length_b [4.3637]
_cell_length_c [6.8759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8GaGe2]
_chemical_formula_sum '[Li16 Ga2 Ge4]'
_cell_volume [351.8598]
_cell_formula_units_Z [2]
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  0.0236  0.0000  0.7173  1.0
  Li  Li1  4  0.1214  0.5000  0.4453  1.0
  Li  Li2  4  0.1550  0.0000  0.2119  1.0
  Li  Li3  4  0.1703  0.5000  0.8891  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge5  4  0.2103  0.0000  0.6728  1.0
]