data_[Sr24Ti8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.2918]
_cell_length_b [5.9434]
_cell_length_c [10.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr3TiN3]
_chemical_formula_sum '[Sr24 Ti8 N24]'
_cell_volume [1005.3391]
_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
[
  Sr  Sr0  16  0.1832  0.1465  0.6396  1
  Sr  Sr1  8  0.0000  0.1189  0.3390  1
  Ti  Ti2  8  0.0872  0.0000  0.0000  1
  N  N3  16  0.1518  0.2004  0.8901  1
  N  N4  8  0.0000  0.1878  0.0935  1
]