data_[Li6Sc2Pd14]
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 [C2/m]
_cell_length_a [8.6587]
_cell_length_b [8.0782]
_cell_length_c [5.0552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3ScPd7]
_chemical_formula_sum '[Li6 Sc2 Pd14]'
_cell_volume [351.8626]
_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  0.0000  0.1869  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Sc  Sc2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  8  0.2487  0.1686  0.7362  1
  Pd  Pd4  4  0.2282  0.0000  0.2242  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]