data_[Cs6Pt6]
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 [Pmmn]
_cell_length_a [4.6346]
_cell_length_b [11.8521]
_cell_length_c [9.9165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CsPt]
_chemical_formula_sum '[Cs6 Pt6]'
_cell_volume [544.7141]
_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
[
  Cs  Cs0  4  0.0000  0.1666  0.7143  1.0
  Cs  Cs1  2  0.0000  0.0000  0.1517  1.0
  Pt  Pt2  4  0.0000  0.2946  0.0157  1.0
  Pt  Pt3  2  0.0000  0.5000  0.0972  1.0
]