data_[Li2Sc2Pd2]
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 [P3m1]
_cell_length_a [4.5564]
_cell_length_b [4.5564]
_cell_length_c [5.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiScPd]
_chemical_formula_sum '[Li2 Sc2 Pd2]'
_cell_volume [104.3245]
_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  1  0.0000  0.0000  0.3631  1.0
  Li  Li1  1  0.3333  0.6667  0.5265  1.0
  Sc  Sc2  1  0.0000  0.0000  0.8397  1.0
  Sc  Sc3  1  0.6667  0.3333  0.1842  1.0
  Pd  Pd4  1  0.3333  0.6667  0.0292  1.0
  Pd  Pd5  1  0.6667  0.3333  0.6838  1.0
]