data_[Ba10Li4W6O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.8471]
_cell_length_b [5.8471]
_cell_length_c [24.3286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Ba5Li2(WO5)3]
_chemical_formula_sum '[Ba10 Li4 W6 O30]'
_cell_volume [720.3264]
_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  0.0000  0.0000  0.1496  1
  Ba  Ba1  2  0.0000  0.0000  0.3498  1
  Ba  Ba2  2  0.3333  0.6667  0.0532  1
  Ba  Ba3  2  0.3333  0.6667  0.4577  1
  Ba  Ba4  2  0.3333  0.6667  0.7424  1
  Li  Li5  2  0.0000  0.0000  0.0090  1
  Li  Li6  2  0.3333  0.6667  0.1813  1
  W  W7  2  0.3333  0.6667  0.2991  1
  W  W8  2  0.3333  0.6667  0.5993  1
  W  W9  2  0.3333  0.6667  0.9024  1
  O  O10  6  0.0004  0.5002  0.8509  1
  O  O11  6  0.0187  0.5094  0.6469  1
  O  O12  6  0.1759  0.3518  0.5528  1
  O  O13  6  0.1768  0.8232  0.9429  1
  O  O14  6  0.1774  0.3548  0.2586  1
]