data_[Th2Ag4Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.7044]
_cell_length_b [7.5664]
_cell_length_c [7.0255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ThAg2SnS4]
_chemical_formula_sum '[Th2 Ag4 Sn2 S8]'
_cell_volume [364.6791]
_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  2  0.0000  0.1117  0.5000  1
  Ag  Ag1  2  0.0000  0.3080  0.0000  1
  Ag  Ag2  2  0.0000  0.7105  0.0000  1
  Sn  Sn3  2  0.0000  0.5718  0.5000  1
  S  S4  4  0.2102  0.8125  0.4912  1
  S  S5  4  0.2263  0.0858  0.9848  1
]