data_[Li10Ge2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6398]
_cell_length_b [4.2965]
_cell_length_c [5.2771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5GePd4]
_chemical_formula_sum '[Li10 Ge2 Pd8]'
_cell_volume [276.3774]
_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  0.1045  0.0000  0.3976  1
  Li  Li1  4  0.2044  0.5000  0.8008  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  Pd  Pd4  4  0.0965  0.0000  0.8966  1
  Pd  Pd5  4  0.1980  0.5000  0.2919  1
]