data_[Li3La2Ge4Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3498]
_cell_length_b [4.3498]
_cell_length_c [10.2752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li3La2Ge4Pd]
_chemical_formula_sum '[Li3 La2 Ge4 Pd1]'
_cell_volume [194.4111]
_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  0.5000  0.1293  1.0
  Li  Li1  1  0.0000  0.0000  0.5000  1.0
  La  La2  2  0.0000  0.5000  0.7513  1.0
  Ge  Ge3  2  0.0000  0.5000  0.3732  1.0
  Ge  Ge4  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge5  1  0.5000  0.5000  0.0000  1.0
  Pd  Pd6  1  0.5000  0.5000  0.5000  1.0
]