data_[Sr16H6N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7415]
_cell_length_b [10.9995]
_cell_length_c [7.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8H3N4]
_chemical_formula_sum '[Sr16 H6 N8]'
_cell_volume [639.6639]
_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  0.0000  0.2344  0.0000  1.0
  Sr  Sr1  4  0.0000  0.2368  0.5000  1.0
  Sr  Sr2  4  0.2188  0.0000  0.4656  1.0
  Sr  Sr3  4  0.2382  0.0000  0.9877  1.0
  H  H4  4  0.2500  0.2500  0.5000  1.0
  H  H5  2  0.0000  0.5000  0.5000  1.0
  N  N6  4  0.2500  0.2500  0.0000  1.0
  N  N7  2  0.0000  0.0000  0.0000  1.0
  N  N8  2  0.0000  0.0000  0.5000  1.0
]