data_[Cs16H16Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.8487]
_cell_length_b [5.9634]
_cell_length_c [8.6146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8H8Pt3]
_chemical_formula_sum '[Cs16 H16 Pt6]'
_cell_volume [1096.9816]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.0210  0.0000  0.7651  1
  Cs  Cs1  4  0.1088  0.5000  0.3018  1
  Cs  Cs2  4  0.1660  0.5000  0.9028  1
  Cs  Cs3  4  0.2116  0.0000  0.6379  1
  H  H4  4  0.0285  0.5000  0.7077  1
  H  H5  4  0.1274  0.0000  0.2878  1
  H  H6  4  0.1894  0.0000  0.9926  1
  H  H7  4  0.2471  0.0000  0.3191  1
  Pt  Pt8  4  0.1712  0.0000  0.1666  1
  Pt  Pt9  2  0.0000  0.5000  0.5000  1
]