data_[Cs8Th4Ag4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0581]
_cell_length_b [12.3590]
_cell_length_c [8.7613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2ThAgSe4]
_chemical_formula_sum '[Cs8 Th4 Ag4 Se16]'
_cell_volume [1190.8269]
_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
[
  Cs  Cs0  4  0.0000  0.5000  0.0000  1
  Cs  Cs1  4  0.2500  0.2500  0.0000  1
  Th  Th2  4  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.2500  0.2500  0.5000  1
  Se  Se4  8  0.0607  0.2269  0.5693  1
  Se  Se5  8  0.1792  0.0350  0.3502  1
]