data_[Ba2Li6Zn3]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4293]
_cell_length_b [8.4293]
_cell_length_c [4.7630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ba2(Li2Zn)3]
_chemical_formula_sum '[Ba2 Li6 Zn3]'
_cell_volume [293.0821]
_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  0.0000  1.0
  Li  Li1  3  0.0000  0.1953  0.0000  1.0
  Li  Li2  3  0.0000  0.7560  0.5000  1.0
  Zn  Zn3  3  0.0000  0.3783  0.5000  1.0
]