data_[Sr8Ti2N8]
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 [P-1]
_cell_length_a [6.3559]
_cell_length_b [6.4568]
_cell_length_c [9.3563]
_cell_angle_alpha [72.2598]
_cell_angle_beta [80.0810]
_cell_angle_gamma [67.7207]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr4TiN4]
_chemical_formula_sum '[Sr8 Ti2 N8]'
_cell_volume [337.7042]
_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  2  0.2175  0.4315  0.8363  1.0
  Sr  Sr1  2  0.2280  0.9600  0.6151  1.0
  Sr  Sr2  2  0.2676  0.7785  0.0272  1.0
  Sr  Sr3  2  0.2742  0.5120  0.4305  1.0
  Ti  Ti4  2  0.2760  0.1540  0.2450  1.0
  N  N5  2  0.0379  0.2912  0.3870  1.0
  N  N6  2  0.0982  0.1778  0.0833  1.0
  N  N7  2  0.4658  0.3507  0.1922  1.0
  N  N8  2  0.4695  0.8370  0.3537  1.0
]