data_[Cs6Ce4Sc2S12]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1822]
_cell_length_b [12.4262]
_cell_length_c [8.3940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ce2ScS6]
_chemical_formula_sum '[Cs6 Ce4 Sc2 S12]'
_cell_volume [718.5903]
_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
[
  Cs  Cs0  4  0.0000  0.1682  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3336  0.0000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2173  0.1571  0.1799  1.0
  S  S5  4  0.2465  0.5000  0.1810  1.0
]