data_[Ba4Sm2Pb2O12]
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
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2714]
_cell_length_b [6.2435]
_cell_length_c [10.8044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2SmPbO6]
_chemical_formula_sum '[Ba4 Sm2 Pb2 O12]'
_cell_volume [345.7897]
_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  4  0.2413  0.5208  0.7489  1.0
  Sm  Sm1  2  0.5000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1810  0.7336  0.4598  1.0
  O  O4  4  0.2258  0.2232  0.4606  1.0
  O  O5  4  0.3163  0.5159  0.2437  1.0
]