data_[Ba2Tb4Sm2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [8.6489]
_cell_length_b [5.9922]
_cell_length_c [6.2006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BaTb2SmO6]
_chemical_formula_sum '[Ba2 Tb4 Sm2 O12]'
_cell_volume [321.3512]
_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  0.5000  0.2525  0.4755  1.0
  Tb  Tb1  4  0.2386  0.2566  0.0124  1.0
  Sm  Sm2  2  0.0000  0.2367  0.5728  1.0
  O  O3  4  0.1628  0.0465  0.3042  1.0
  O  O4  4  0.2647  0.4099  0.6752  1.0
  O  O5  2  0.0000  0.4007  0.9322  1.0
  O  O6  2  0.5000  0.1925  0.0362  1.0
]