data_[Si6P4Pt2]
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 [P1]
_cell_length_a [4.8891]
_cell_length_b [5.5239]
_cell_length_c [8.1495]
_cell_angle_alpha [91.3941]
_cell_angle_beta [93.5259]
_cell_angle_gamma [107.9517]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si3P2Pt]
_chemical_formula_sum '[Si6 P4 Pt2]'
_cell_volume [208.7677]
_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  1  0.0566  0.4526  0.3964  1.0
  Si  Si1  1  0.1780  0.7550  0.8041  1.0
  Si  Si2  1  0.3533  0.0245  0.2333  1.0
  Si  Si3  1  0.5611  0.3313  0.6699  1.0
  Si  Si4  1  0.6666  0.9624  0.7548  1.0
  Si  Si5  1  0.6670  0.6078  0.0735  1.0
  P  P6  1  0.1924  0.1182  0.4796  1.0
  P  P7  1  0.2950  0.3971  0.8856  1.0
  P  P8  1  0.4950  0.6920  0.3181  1.0
  P  P9  1  0.7952  0.2698  0.1635  1.0
  Pt  Pt10  1  0.8523  0.7162  0.5581  1.0
  Pt  Pt11  1  0.9998  0.9987  0.0008  1.0
]