data_[Ba8La24Mg16Ti12W4O96]
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
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4128]
_cell_length_b [5.6083]
_cell_length_c [38.6219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2La6Mg4Ti3WO24]
_chemical_formula_sum '[Ba8 La24 Mg16 Ti12 W4 O96]'
_cell_volume [2238.2493]
_cell_formula_units_Z [4]
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  0.0095  0.0000  0.4067  1
  Ba  Ba1  4  0.1578  0.5000  0.5309  1
  La  La2  4  0.0060  0.5000  0.7924  1
  La  La3  4  0.0741  0.0000  0.1516  1
  La  La4  4  0.1214  0.5000  0.6410  1
  La  La5  4  0.1325  0.0000  0.7176  1
  La  La6  4  0.1523  0.5000  0.0859  1
  La  La7  4  0.2265  0.0000  0.0380  1
  Mg  Mg8  4  0.1125  0.5000  0.8775  1
  Mg  Mg9  4  0.1333  0.0000  0.3128  1
  Mg  Mg10  4  0.1850  0.0000  0.2397  1
  Mg  Mg11  2  0.0000  0.0000  0.5000  1
  Mg  Mg12  2  0.0000  0.5000  0.0000  1
  Ti  Ti13  4  0.0650  0.0000  0.9417  1
  Ti  Ti14  4  0.0973  0.5000  0.3047  1
  Ti  Ti15  4  0.2030  0.0000  0.8138  1
  W  W16  4  0.1772  0.5000  0.4374  1
  O  O17  8  0.0212  0.2497  0.3317  1
  O  O18  8  0.0392  0.2506  0.0375  1
  O  O19  8  0.0905  0.2594  0.4656  1
  O  O20  8  0.1242  0.2430  0.8390  1
  O  O21  8  0.1479  0.2460  0.9159  1
  O  O22  8  0.1779  0.2538  0.2029  1
  O  O23  8  0.1857  0.2386  0.2795  1
  O  O24  8  0.2401  0.2535  0.4101  1
  O  O25  4  0.0050  0.5000  0.4058  1
  O  O26  4  0.0477  0.5000  0.7323  1
  O  O27  4  0.0707  0.0000  0.7766  1
  O  O28  4  0.0874  0.5000  0.1394  1
  O  O29  4  0.1101  0.0000  0.0960  1
  O  O30  4  0.1681  0.0000  0.5306  1
  O  O31  4  0.2134  0.0000  0.9763  1
  O  O32  4  0.2320  0.0000  0.6661  1
]