data_[Li12Ge12Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1699]
_cell_length_b [11.5368]
_cell_length_c [6.7406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [LiGePt]
_chemical_formula_sum '[Li12 Ge12 Pt12]'
_cell_volume [557.5670]
_cell_formula_units_Z [12]
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  0.2500  0.0217  0.8518  1
  Li  Li1  4  0.2500  0.2245  0.4914  1
  Li  Li2  4  0.2500  0.6828  0.9461  1
  Ge  Ge3  8  0.0394  0.6658  0.2556  1
  Ge  Ge4  4  0.2500  0.0368  0.2529  1
  Pt  Pt5  8  0.0399  0.6302  0.6212  1
  Pt  Pt6  4  0.0000  0.0000  0.5162  1
]