data_[Ba2Li5Zn5]
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 [Pmmm]
_cell_length_a [4.5669]
_cell_length_b [5.6770]
_cell_length_c [10.3375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ba2(LiZn)5]
_chemical_formula_sum '[Ba2 Li5 Zn5]'
_cell_volume [268.0139]
_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  1  0.0000  0.0000  0.5000  1
  Ba  Ba1  1  0.0000  0.5000  0.0000  1
  Li  Li2  2  0.0000  0.0000  0.1833  1
  Li  Li3  2  0.0000  0.5000  0.3309  1
  Li  Li4  1  0.5000  0.0000  0.0000  1
  Zn  Zn5  4  0.5000  0.2516  0.2549  1
  Zn  Zn6  1  0.5000  0.5000  0.5000  1
]