data_[Sr12H4N6]
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 [6.6573]
_cell_length_b [11.5280]
_cell_length_c [6.8168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6H2N3]
_chemical_formula_sum '[Sr12 H4 N6]'
_cell_volume [494.6505]
_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  8  0.2353  0.1693  0.2141  1
  Sr  Sr1  4  0.2416  0.5000  0.2093  1
  H  H2  4  0.0000  0.1670  0.5000  1
  N  N3  4  0.0000  0.3328  0.0000  1
  N  N4  2  0.0000  0.0000  0.0000  1
]