data_[Li4Th4Ge4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5365]
_cell_length_b [11.7926]
_cell_length_c [5.7222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiThGePt3]
_chemical_formula_sum '[Li4 Th4 Ge4 Pt12]'
_cell_volume [441.0738]
_cell_formula_units_Z [4]
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  0.0000  0.0498  0.7500  1
  Th  Th1  4  0.0000  0.2927  0.7500  1
  Ge  Ge2  4  0.0000  0.3725  0.2500  1
  Pt  Pt3  8  0.2196  0.5000  0.0000  1
  Pt  Pt4  4  0.0000  0.1668  0.2500  1
]