data_[Sr10Ti4N12]
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 [Pbam]
_cell_length_a [10.9467]
_cell_length_b [12.2428]
_cell_length_c [3.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Sr5(TiN3)2]
_chemical_formula_sum '[Sr10 Ti4 N12]'
_cell_volume [478.5753]
_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
[
  Sr  Sr0  4  0.0166  0.2372  0.5000  1
  Sr  Sr1  4  0.1998  0.9850  0.5000  1
  Sr  Sr2  2  0.0000  0.5000  0.5000  1
  Ti  Ti3  4  0.2385  0.7747  0.0000  1
  N  N4  4  0.0999  0.8638  0.0000  1
  N  N5  4  0.1283  0.3821  0.0000  1
  N  N6  4  0.2384  0.6935  0.5000  1
]