data_[Cs16Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.4887]
_cell_length_b [10.0889]
_cell_length_c [15.9952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [CsPt]
_chemical_formula_sum '[Cs16 Pt16]'
_cell_volume [1047.1079]
_cell_formula_units_Z [16]
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  16  0.0000  0.1727  0.5000  1
  Pt  Pt1  16  0.0000  0.0000  0.0797  1
]