data_[Ti2Pd10Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.8464]
_cell_length_b [7.8464]
_cell_length_c [7.4939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [TiPd5Pt8]
_chemical_formula_sum '[Ti2 Pd10 Pt16]'
_cell_volume [461.3714]
_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  2  0.0000  0.5000  0.7500  1
  Pd  Pd1  8  0.1096  0.3142  0.1558  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  Pt  Pt3  8  0.0572  0.1619  0.8359  1
  Pt  Pt4  8  0.1151  0.3126  0.5119  1
]