data_[Ti24Pt8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6934]
_cell_length_b [8.9160]
_cell_length_c [5.8799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3PtN]
_chemical_formula_sum '[Ti24 Pt8 N8]'
_cell_volume [595.5381]
_cell_formula_units_Z [8]
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  8  0.1437  0.4962  0.0750  1
  Ti  Ti1  8  0.1468  0.1824  0.5857  1
  Ti  Ti2  8  0.1548  0.1707  0.0637  1
  Pt  Pt3  4  0.0000  0.0059  0.2500  1
  Pt  Pt4  4  0.0000  0.3308  0.2500  1
  N  N5  8  0.1638  0.3405  0.8301  1
]