data_[Li12La4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4128]
_cell_length_b [4.3701]
_cell_length_c [8.0107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3LaGe2]
_chemical_formula_sum '[Li12 La4 Ge8]'
_cell_volume [486.6611]
_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  0.0380  0.0000  0.3687  1.0
  Li  Li1  4  0.0972  0.5000  0.6851  1.0
  Li  Li2  4  0.1876  0.5000  0.4618  1.0
  La  La3  4  0.1509  0.0000  0.0671  1.0
  Ge  Ge4  4  0.0228  0.5000  0.1646  1.0
  Ge  Ge5  4  0.1899  0.0000  0.7033  1.0
]