data_[Ti24Pd4N16]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0562]
_cell_length_b [10.3303]
_cell_length_c [16.0948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti6PdN4]
_chemical_formula_sum '[Ti24 Pd4 N16]'
_cell_volume [508.1443]
_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  8  0.0000  0.0349  0.1462  1
  Ti  Ti1  8  0.0000  0.2213  0.5773  1
  Ti  Ti2  4  0.0000  0.3597  0.2500  1
  Ti  Ti3  4  0.0000  0.5000  0.0000  1
  Pd  Pd4  4  0.0000  0.3371  0.7500  1
  N  N5  8  0.0000  0.1376  0.0394  1
  N  N6  8  0.0000  0.4063  0.1206  1
]