data_[Ba4Ce4Si4O20]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2428]
_cell_length_b [9.8817]
_cell_length_c [7.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaCeSiO5]
_chemical_formula_sum '[Ba4 Ce4 Si4 O20]'
_cell_volume [522.3515]
_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
[
  Ba  Ba0  4  0.0000  0.3404  0.2500  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0000  0.3151  0.7500  1.0
  O  O3  8  0.0928  0.2171  0.6275  1.0
  O  O4  8  0.1719  0.4172  0.8916  1.0
  O  O5  4  0.0000  0.0774  0.2500  1.0
]