data_[Ba8Ce4Sm4O20]
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
  Sm  1.1700  1.8500  1.2290
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7424]
_cell_length_b [15.1331]
_cell_length_c [11.8981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CeSmO5]
_chemical_formula_sum '[Ba8 Ce4 Sm4 O20]'
_cell_volume [673.8399]
_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  0.1099  0.6979  1.0
  Ba  Ba1  4  0.0000  0.1383  0.2742  1.0
  Ce  Ce2  4  0.0000  0.4757  0.4650  1.0
  Sm  Sm3  4  0.0000  0.2263  0.0076  1.0
  O  O4  4  0.0000  0.0701  0.0525  1.0
  O  O5  4  0.0000  0.2756  0.6398  1.0
  O  O6  4  0.0000  0.3107  0.3896  1.0
  O  O7  4  0.0000  0.3780  0.0131  1.0
  O  O8  4  0.0000  0.4943  0.7843  1.0
]