data_[Li8Sn2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6391]
_cell_length_b [4.5285]
_cell_length_c [5.6812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4SnGe]
_chemical_formula_sum '[Li8 Sn2 Ge2]'
_cell_volume [203.3021]
_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  0.1573  0.5000  0.3471  1.0
  Li  Li1  4  0.1754  0.5000  0.8688  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
]