data_[Cs4Ce4Th4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.7389]
_cell_length_b [8.9141]
_cell_length_c [12.4665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsCeThS4]
_chemical_formula_sum '[Cs4 Ce4 Th4 S16]'
_cell_volume [971.1395]
_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  0.2500  0.8746  1
  Ce  Ce1  4  0.0000  0.0000  0.5000  1
  Th  Th2  4  0.2500  0.2500  0.2500  1
  S  S3  8  0.0000  0.0514  0.2687  1
  S  S4  8  0.2053  0.7500  0.5286  1
]