data_[Li1Sn3Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0259]
_cell_length_b [4.0259]
_cell_length_c [16.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li(SnPt4)3]
_chemical_formula_sum '[Li1 Sn3 Pt12]'
_cell_volume [260.3339]
_cell_formula_units_Z [1]
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  0.0000  1
  Sn  Sn1  2  0.0000  0.0000  0.2405  1
  Sn  Sn2  1  0.0000  0.0000  0.5000  1
  Pt  Pt3  4  0.0000  0.5000  0.1164  1
  Pt  Pt4  4  0.0000  0.5000  0.3724  1
  Pt  Pt5  2  0.5000  0.5000  0.2465  1
  Pt  Pt6  1  0.5000  0.5000  0.0000  1
  Pt  Pt7  1  0.5000  0.5000  0.5000  1
]