data_[Th8Si8Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1434]
_cell_length_b [4.3443]
_cell_length_c [10.5691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2Si2Ag]
_chemical_formula_sum '[Th8 Si8 Ag4]'
_cell_volume [455.4937]
_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  0.0021  0.0000  0.3224  1
  Th  Th1  4  0.1912  0.0000  0.1044  1
  Si  Si2  4  0.0242  0.5000  0.8953  1
  Si  Si3  4  0.1249  0.5000  0.5648  1
  Ag  Ag4  4  0.2246  0.5000  0.3600  1
]