data_[Ti4Si2Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4829]
_cell_length_b [5.6732]
_cell_length_c [13.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti2SiPt8]
_chemical_formula_sum '[Ti4 Si2 Pt16]'
_cell_volume [344.4768]
_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
[
  Ti  Ti0  4  0.0000  0.5000  0.1885  1.0
  Si  Si1  2  0.0000  0.5000  0.5000  1.0
  Pt  Pt2  8  0.0000  0.2405  0.3650  1.0
  Pt  Pt3  4  0.0000  0.0000  0.1871  1.0
  Pt  Pt4  4  0.0000  0.2548  0.0000  1.0
]