data_[Ba4Li16Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4660]
_cell_length_b [6.8406]
_cell_length_c [17.2816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [BaLi4Pt]
_chemical_formula_sum '[Ba4 Li16 Pt4]'
_cell_volume [646.1746]
_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  0.2178  1.0
  Li  Li1  8  0.0000  0.2537  0.4197  1.0
  Li  Li2  4  0.0000  0.1981  0.0000  1.0
  Li  Li3  4  0.0000  0.5000  0.1222  1.0
  Pt  Pt4  4  0.2437  0.0000  0.5000  1.0
]