data_[Ba2Ce2S4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5080]
_cell_length_b [4.1766]
_cell_length_c [8.7353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCeS2O]
_chemical_formula_sum '[Ba2 Ce2 S4 O2]'
_cell_volume [262.9169]
_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  2  0.3009  0.7500  0.6947  1.0
  Ce  Ce1  2  0.1998  0.7500  0.1845  1.0
  S  S2  2  0.1559  0.2500  0.3821  1.0
  S  S3  2  0.1945  0.2500  0.9610  1.0
  O  O4  2  0.4715  0.7500  0.2589  1.0
]