data_[Th14Sn4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.6142]
_cell_length_b [11.3242]
_cell_length_c [6.9501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th7(SnPt)2]
_chemical_formula_sum '[Th14 Sn4 Pt4]'
_cell_volume [677.9757]
_cell_formula_units_Z [2]
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  8  0.2500  0.2500  0.2738  1
  Th  Th1  4  0.0000  0.5000  0.2507  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Sn  Sn3  4  0.1695  0.0000  0.5000  1
  Pt  Pt4  4  0.0000  0.2637  0.0000  1
]