data_[La4Sc2Ge2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  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 [11.8089]
_cell_length_b [5.6604]
_cell_length_c [8.5818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2ScGePd6]
_chemical_formula_sum '[La4 Sc2 Ge2 Pd12]'
_cell_volume [423.4786]
_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
[
  La  La0  4  0.0229  0.5000  0.2641  1
  Sc  Sc1  2  0.0000  0.0000  0.5000  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  8  0.2456  0.2451  0.2630  1
  Pd  Pd4  4  0.1616  0.0000  0.9107  1
]