data_[Ba16Li4Pt4]
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 [C2/c]
_cell_length_a [10.6894]
_cell_length_b [15.3503]
_cell_length_c [7.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4LiPt]
_chemical_formula_sum '[Ba16 Li4 Pt4]'
_cell_volume [1099.2977]
_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  8  0.1073  0.1635  0.0734  1.0
  Ba  Ba1  8  0.2214  0.4295  0.3204  1.0
  Li  Li2  4  0.0000  0.3670  0.7500  1.0
  Pt  Pt3  4  0.0000  0.0019  0.7500  1.0
]