data_[Sr4N8O40]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8335]
_cell_length_b [14.5697]
_cell_length_c [7.6906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr(NO5)2]
_chemical_formula_sum '[Sr4 N8 O40]'
_cell_volume [898.8286]
_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
[
  Sr  Sr0  4  0.0000  0.1980  0.2500  1
  N  N1  8  0.2331  0.4026  0.3405  1
  O  O2  8  0.0566  0.1446  0.8461  1
  O  O3  8  0.0633  0.3520  0.7515  1
  O  O4  8  0.1219  0.4432  0.1812  1
  O  O5  8  0.1408  0.0584  0.4990  1
  O  O6  8  0.2284  0.3122  0.3548  1
]