data_[Ba4La2Sb1Ru1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1105]
_cell_length_b [6.1118]
_cell_length_c [10.6487]
_cell_angle_alpha [90.4469]
_cell_angle_beta [106.3809]
_cell_angle_gamma [119.4678]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba4La2SbRuO12]
_chemical_formula_sum '[Ba4 La2 Sb1 Ru1 O12]'
_cell_volume [327.0339]
_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  0.2422  0.1236  0.8705  1.0
  Ba  Ba1  2  0.2542  0.6308  0.3821  1.0
  La  La2  2  0.4984  0.7487  0.7511  1.0
  Sb  Sb3  1  0.0000  0.5000  0.0000  1.0
  Ru  Ru4  1  0.0000  0.0000  0.5000  1.0
  O  O5  2  0.1716  0.5870  0.8564  1.0
  O  O6  2  0.1909  0.0970  0.3668  1.0
  O  O7  2  0.2245  0.3602  0.5955  1.0
  O  O8  2  0.2321  0.8696  0.0918  1.0
  O  O9  2  0.2685  0.9236  0.6107  1.0
  O  O10  2  0.2804  0.4280  0.1083  1.0
]