data_[Ba6La6Ni3W6O36]
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
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7239]
_cell_length_b [5.7239]
_cell_length_c [27.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2La2Ni(WO6)2]
_chemical_formula_sum '[Ba6 La6 Ni3 W6 O36]'
_cell_volume [789.9374]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3662  1.0
  La  La1  6  0.0000  0.0000  0.2070  1.0
  Ni  Ni2  3  -0.0000  -0.0000  0.5000  1.0
  W  W3  6  0.0000  0.0000  0.0828  1.0
  O  O4  18  0.0002  0.5001  0.3831  1.0
  O  O5  18  0.0223  0.5111  0.7956  1.0
]