data_[Ba12Li6H36Pt6]
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
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7510]
_cell_length_b [5.7510]
_cell_length_c [28.7354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2LiH6Pt]
_chemical_formula_sum '[Ba12 Li6 H36 Pt6]'
_cell_volume [823.0559]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1244  1
  Ba  Ba1  6  0.0000  0.0000  0.2928  1
  Li  Li2  6  0.0000  0.0000  0.4112  1
  H  H3  18  0.0320  0.5160  0.7043  1
  H  H4  18  0.0429  0.5214  0.1297  1
  Pt  Pt5  3  -0.0000  -0.0000  0.5000  1
  Pt  Pt6  3  0.0000  0.0000  0.0000  1
]