data_[Si4P4Pt4]
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 [P2_1]
_cell_length_a [5.9291]
_cell_length_b [5.9832]
_cell_length_c [6.0464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SiPPt]
_chemical_formula_sum '[Si4 P4 Pt4]'
_cell_volume [197.0635]
_cell_formula_units_Z [4]
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  2  0.1607  0.6236  0.6206  1.0
  Si  Si1  2  0.3342  0.1242  0.9411  1.0
  P  P2  2  0.1616  0.8791  0.1233  1.0
  P  P3  2  0.3322  0.3788  0.4416  1.0
  Pt  Pt4  2  0.2636  0.4988  0.0417  1.0
  Pt  Pt5  2  0.2726  0.9992  0.5390  1.0
]