data_[Ba2Sm2Ti2Cu2O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9219]
_cell_length_b [3.9219]
_cell_length_c [16.1289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba2Sm2Ti2Cu2O11]
_chemical_formula_sum '[Ba2 Sm2 Ti2 Cu2 O11]'
_cell_volume [248.0894]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.2659  1.0
  Sm  Sm1  1  0.5000  0.5000  0.0000  1.0
  Sm  Sm2  1  0.5000  0.5000  0.5000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.1233  1.0
  Cu  Cu4  2  0.0000  0.0000  0.3961  1.0
  O  O5  4  0.0000  0.5000  0.1093  1.0
  O  O6  4  0.0000  0.5000  0.4068  1.0
  O  O7  2  0.0000  0.0000  0.2393  1.0
  O  O8  1  0.0000  0.0000  0.0000  1.0
]