data_[Ti8Sn8Pd4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.6033]
_cell_length_b [4.3892]
_cell_length_c [14.5574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti2Sn2PdPt]
_chemical_formula_sum '[Ti8 Sn8 Pd4 Pt4]'
_cell_volume [478.4134]
_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
[
  Ti  Ti0  1  0.1868  0.0000  0.5621  1
  Ti  Ti1  1  0.1900  0.5000  0.0632  1
  Ti  Ti2  1  0.4370  0.0000  0.3120  1
  Ti  Ti3  1  0.4403  0.5000  0.8135  1
  Ti  Ti4  1  0.6853  0.0000  0.0624  1
  Ti  Ti5  1  0.6883  0.5000  0.5634  1
  Ti  Ti6  1  0.9346  0.0000  0.8114  1
  Ti  Ti7  1  0.9376  0.5000  0.3120  1
  Sn  Sn8  1  0.0618  0.0000  0.1861  1
  Sn  Sn9  1  0.0653  0.5000  0.6871  1
  Sn  Sn10  1  0.3091  0.0000  0.9362  1
  Sn  Sn11  1  0.3131  0.5000  0.4390  1
  Sn  Sn12  1  0.5591  0.0000  0.6864  1
  Sn  Sn13  1  0.5629  0.5000  0.1877  1
  Sn  Sn14  1  0.8129  0.0000  0.4389  1
  Sn  Sn15  1  0.8159  0.5000  0.9386  1
  Pd  Pd16  1  0.0000  0.0000  0.9999  1
  Pd  Pd17  1  0.0000  0.5000  0.5000  1
  Pd  Pd18  1  0.2499  0.0000  0.7499  1
  Pd  Pd19  1  0.5000  0.0000  0.5000  1
  Pt  Pt20  1  0.2500  0.5000  0.2502  1
  Pt  Pt21  1  0.5000  0.5000  0.0000  1
  Pt  Pt22  1  0.7499  0.5000  0.7498  1
  Pt  Pt23  1  0.7501  0.0000  0.2502  1
]