data_[Sr16H2N6]
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 [P6_3mc]
_cell_length_a [7.8414]
_cell_length_b [7.8414]
_cell_length_c [13.6353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Sr8HN3]
_chemical_formula_sum '[Sr16 H2 N6]'
_cell_volume [726.0803]
_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  6  0.0239  0.5120  0.3269  1
  Sr  Sr1  6  0.1566  0.3132  0.6148  1
  Sr  Sr2  2  0.0000  0.0000  0.3239  1
  Sr  Sr3  2  0.3333  0.6667  0.1148  1
  H  H4  2  0.3333  0.6667  0.4338  1
  N  N5  6  0.1656  0.3312  0.2199  1
]