data_[Si4P2Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4405]
_cell_length_b [3.7717]
_cell_length_c [5.5405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si2PPt8]
_chemical_formula_sum '[Si4 P2 Pt16]'
_cell_volume [335.4580]
_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
[
  Si  Si0  4  0.1768  0.0000  0.7009  1
  P  P1  2  0.0000  0.5000  0.0000  1
  Pt  Pt2  4  0.0278  0.0000  0.7575  1
  Pt  Pt3  4  0.0984  0.5000  0.4165  1
  Pt  Pt4  4  0.1499  0.5000  0.9658  1
  Pt  Pt5  4  0.2228  0.0000  0.3090  1
]