data_[Li24Cd10Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7217]
_cell_length_b [7.8785]
_cell_length_c [6.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Cd5Ge2]
_chemical_formula_sum '[Li24 Cd10 Ge4]'
_cell_volume [689.2634]
_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  8  0.1222  0.2954  0.6750  1.0
  Li  Li1  8  0.1488  0.1925  0.2412  1.0
  Li  Li2  4  0.0526  0.5000  0.3113  1.0
  Li  Li3  4  0.0874  0.0000  0.8874  1.0
  Cd  Cd4  4  0.2022  0.5000  0.9972  1.0
  Cd  Cd5  4  0.2407  0.0000  0.5546  1.0
  Cd  Cd6  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge7  4  0.0000  0.3179  0.0000  1.0
]