data_[Li4Ge20Pd12]
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 [8.5393]
_cell_length_b [8.6975]
_cell_length_c [9.7270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiGe5Pd3]
_chemical_formula_sum '[Li4 Ge20 Pd12]'
_cell_volume [681.1431]
_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  0.2453  0.0000  0.2505  1
  Ge  Ge1  8  0.0615  0.2590  0.3738  1
  Ge  Ge2  4  0.0000  0.2876  0.0000  1
  Ge  Ge3  4  0.1946  0.0000  0.5246  1
  Ge  Ge4  4  0.2140  0.5000  0.0193  1
  Pd  Pd5  4  0.0651  0.5000  0.2253  1
  Pd  Pd6  4  0.0665  0.0000  0.7247  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
  Pd  Pd8  2  0.0000  0.5000  0.5000  1
]