data_[Ba8Li4Zn20]
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 [Cmcm]
_cell_length_a [4.7686]
_cell_length_b [17.9063]
_cell_length_c [9.5847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba2LiZn5]
_chemical_formula_sum '[Ba8 Li4 Zn20]'
_cell_volume [818.4221]
_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  0.0000  0.0000  0.0000  1
  Ba  Ba1  4  0.0000  0.2057  0.2500  1
  Li  Li2  4  0.0000  0.4378  0.7500  1
  Zn  Zn3  8  0.0000  0.1820  0.6120  1
  Zn  Zn4  8  0.0000  0.3448  0.5057  1
  Zn  Zn5  4  0.0000  0.4050  0.2500  1
]