data_[Si2P1Pt1]
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 [Pmm2]
_cell_length_a [2.7068]
_cell_length_b [3.2488]
_cell_length_c [6.7765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Si2PPt]
_chemical_formula_sum '[Si2 P1 Pt1]'
_cell_volume [59.5910]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.9836  1
  Si  Si1  1  0.5000  0.5000  0.2608  1
  P  P2  1  0.0000  0.0000  0.4935  1
  Pt  Pt3  1  0.5000  0.5000  0.7622  1
]