data_[Ti2Ni8Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8097]
_cell_length_b [3.8097]
_cell_length_c [14.6638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [TiNi4Pt3]
_chemical_formula_sum '[Ti2 Ni8 Pt6]'
_cell_volume [212.8314]
_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  0.0000  0.5000  1.0
  Ni  Ni1  8  0.0000  0.5000  0.1225  1.0
  Pt  Pt2  4  0.0000  0.0000  0.2468  1.0
  Pt  Pt3  2  0.0000  0.0000  0.0000  1.0
]