data_[Ba3Li2As1O6]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7885]
_cell_length_b [5.7885]
_cell_length_c [6.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Li2AsO6]
_chemical_formula_sum '[Ba3 Li2 As1 O6]'
_cell_volume [201.1005]
_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  0.3333  0.6667  0.6484  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Li  Li2  2  0.3333  0.6667  0.2448  1
  As  As3  1  0.0000  0.0000  0.5000  1
  O  O4  6  0.1543  0.8457  0.3370  1
]