data_[Th4Ge4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.3079]
_cell_length_b [19.8421]
_cell_length_c [5.6331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThGePt4]
_chemical_formula_sum '[Th4 Ge4 Pt16]'
_cell_volume [481.5008]
_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
[
  Th  Th0  4  0.0000  0.3911  0.2500  1
  Ge  Ge1  4  0.0000  0.1006  0.2500  1
  Pt  Pt2  8  0.0000  0.2053  0.5116  1
  Pt  Pt3  4  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.0000  0.3328  0.7500  1
]