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 [7.2134]
_cell_length_b [11.5055]
_cell_length_c [6.7402]
_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 [559.3893]
_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  0.1825  0.9460  1.0
  Li  Li1  4  0.2500  0.5212  0.8520  1.0
  Li  Li2  4  0.2500  0.7245  0.4918  1.0
  Ge  Ge3  8  0.0412  0.1661  0.2554  1.0
  Ge  Ge4  4  0.2500  0.5369  0.2529  1.0
  Pt  Pt5  8  0.0400  0.1300  0.6212  1.0
  Pt  Pt6  4  0.0000  0.0000  0.0160  1.0
]