data_[Ba4Na5Li2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.3283]
_cell_length_b [4.7127]
_cell_length_c [11.7959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Na5Li2]
_chemical_formula_sum '[Ba4 Na5 Li2]'
_cell_volume [516.6777]
_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  0.1665  0.5000  0.8592  1.0
  Ba  Ba1  2  0.2400  0.5000  0.4395  1.0
  Na  Na2  2  0.1880  0.0000  0.1518  1.0
  Na  Na3  2  0.4421  0.0000  0.6880  1.0
  Na  Na4  1  0.5000  0.0000  0.0000  1.0
  Li  Li5  2  0.0594  0.0000  0.6286  1.0
]