data_[Ba2Sm2Cu2B2O10]
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
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [5.5273]
_cell_length_b [5.5273]
_cell_length_c [7.5897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [BaSmCuBO5]
_chemical_formula_sum '[Ba2 Sm2 Cu2 B2 O10]'
_cell_volume [231.8688]
_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  0.0000  0.0000  0.0078  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5132  1.0
  Cu  Cu2  2  0.0000  0.5000  0.7319  1.0
  B  B3  2  0.0000  0.5000  0.2530  1.0
  O  O4  4  0.1563  0.6563  0.3403  1.0
  O  O5  4  0.2475  0.2525  0.7138  1.0
  O  O6  2  0.0000  0.5000  0.0687  1.0
]