data_[Th12Zn4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.0258]
_cell_length_b [4.1636]
_cell_length_c [11.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th3ZnSi2]
_chemical_formula_sum '[Th12 Zn4 Si8]'
_cell_volume [588.0461]
_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  0.0548  0.2500  0.3808  1
  Th  Th1  4  0.1183  0.7500  0.9353  1
  Th  Th2  4  0.2042  0.2500  0.7129  1
  Zn  Zn3  4  0.1311  0.2500  0.1282  1
  Si  Si4  4  0.0289  0.7500  0.1888  1
  Si  Si5  4  0.1935  0.7500  0.5081  1
]