data_[Li2Cd1Ge1]
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 [P4/mmm]
_cell_length_a [3.1379]
_cell_length_b [3.1379]
_cell_length_c [6.9177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li2CdGe]
_chemical_formula_sum '[Li2 Cd1 Ge1]'
_cell_volume [68.1154]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2767  1.0
  Cd  Cd1  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge2  1  0.5000  0.5000  0.5000  1.0
]