data_[Li2Pd16Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7192]
_cell_length_b [8.6460]
_cell_length_c [4.6969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Pd4Pt)2]
_chemical_formula_sum '[Li2 Pd16 Pt4]'
_cell_volume [375.7717]
_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  0.0000  0.0000  0.0000  1
  Pd  Pd1  8  0.0813  0.2401  0.8007  1
  Pd  Pd2  4  0.0788  0.5000  0.2971  1
  Pd  Pd3  4  0.2313  0.5000  0.8900  1
  Pt  Pt4  4  0.1374  0.0000  0.5175  1
]