data_[Sr2H12Br4N4]
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
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0078]
_cell_length_b [4.6783]
_cell_length_c [6.4476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrH6(BrN)2]
_chemical_formula_sum '[Sr2 H12 Br4 N4]'
_cell_volume [389.3767]
_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  0.0000  0.5000  1.0
  H  H1  8  0.1231  0.1738  0.9534  1.0
  H  H2  4  0.2068  0.0000  0.8285  1.0
  Br  Br3  4  0.1128  0.5000  0.3072  1.0
  N  N4  4  0.1312  0.0000  0.8594  1.0
]