data_[Ba10Ce2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.2447]
_cell_length_b [9.2447]
_cell_length_c [9.2395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ba5CeS8]
_chemical_formula_sum '[Ba10 Ce2 S16]'
_cell_volume [789.6420]
_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
[
  Ba  Ba0  8  0.1198  0.2400  0.1318  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Ce  Ce2  2  0.0000  0.5000  0.7500  1
  S  S3  8  0.0587  0.3543  0.4742  1
  S  S4  8  0.0791  0.2001  0.7900  1
]