data_[Ba8Sr4Ce4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9117]
_cell_length_b [14.8381]
_cell_length_c [12.1273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2SrCeO5]
_chemical_formula_sum '[Ba8 Sr4 Ce4 O20]'
_cell_volume [703.9012]
_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  0.1013  0.6913  1.0
  Ba  Ba1  4  0.0000  0.1498  0.2627  1.0
  Sr  Sr2  4  0.0000  0.2347  0.0036  1.0
  Ce  Ce3  4  0.0000  0.4650  0.4620  1.0
  O  O4  4  0.0000  0.0638  0.0456  1.0
  O  O5  4  0.0000  0.2724  0.6483  1.0
  O  O6  4  0.0000  0.3243  0.3839  1.0
  O  O7  4  0.0000  0.3994  0.0302  1.0
  O  O8  4  0.0000  0.4834  0.7964  1.0
]