data_[Cs4Ce4Mg2S12]
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
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0119]
_cell_length_b [12.1666]
_cell_length_c [8.5388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ce2MgS6]
_chemical_formula_sum '[Cs4 Ce4 Mg2 S12]'
_cell_volume [701.9885]
_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  0.1643  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3339  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2224  0.1669  0.6744  1.0
  S  S4  4  0.2311  0.5000  0.6715  1.0
]