data_[Sr2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1843]
_cell_length_b [6.5936]
_cell_length_c [6.7961]
_cell_angle_alpha [77.6799]
_cell_angle_beta [62.9356]
_cell_angle_gamma [62.0330]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrN6]
_chemical_formula_sum '[Sr2 N12]'
_cell_volume [217.9562]
_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  0.1261  0.7487  0.7429  1.0
  N  N1  2  0.1651  0.1164  0.5031  1.0
  N  N2  2  0.2369  0.2527  0.5047  1.0
  N  N3  2  0.2832  0.8861  0.0009  1.0
  N  N4  2  0.2909  0.3710  0.9956  1.0
  N  N5  2  0.3333  0.3819  0.5055  1.0
  N  N6  2  0.4947  0.2528  0.0065  1.0
]