data_[Ti8Pt2N2]
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 [Pmmn]
_cell_length_a [4.2171]
_cell_length_b [7.7438]
_cell_length_c [5.8978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ti4PtN]
_chemical_formula_sum '[Ti8 Pt2 N2]'
_cell_volume [192.6006]
_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  0.2030  0.2849  1
  Ti  Ti1  2  0.0000  0.0000  0.7555  1
  Ti  Ti2  2  0.0000  0.5000  0.9333  1
  Pt  Pt3  2  0.0000  0.5000  0.4868  1
  N  N4  2  0.0000  0.0000  0.0825  1
]