data_[Sr2H12N4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3156]
_cell_length_b [4.4186]
_cell_length_c [6.1142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrH6(NCl)2]
_chemical_formula_sum '[Sr2 H12 N4 Cl4]'
_cell_volume [359.7284]
_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  0.0000  0.5000  0.5000  1.0
  H  H1  8  0.1269  0.3231  0.0731  1.0
  H  H2  4  0.2083  0.5000  0.2287  1.0
  N  N3  4  0.1348  0.5000  0.1760  1.0
  Cl  Cl4  4  0.1046  0.0000  0.7186  1.0
]