data_[Li6Sc2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7652]
_cell_length_b [4.2279]
_cell_length_c [9.1484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3ScPd6]
_chemical_formula_sum '[Li6 Sc2 Pd12]'
_cell_volume [294.0920]
_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  2  0.2496  0.2500  0.0242  1
  Li  Li1  2  0.3551  0.7500  0.8185  1
  Li  Li2  2  0.4571  0.2500  0.6023  1
  Sc  Sc3  2  0.0629  0.2500  0.3816  1
  Pd  Pd4  2  0.0681  0.7500  0.9113  1
  Pd  Pd5  2  0.1544  0.7500  0.2134  1
  Pd  Pd6  2  0.1719  0.2500  0.7130  1
  Pd  Pd7  2  0.2636  0.7500  0.5200  1
  Pd  Pd8  2  0.3797  0.2500  0.3103  1
  Pd  Pd9  2  0.4598  0.7500  0.1038  1
]