data_[H8Br2N2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0685]
_cell_length_b [6.2260]
_cell_length_c [9.0958]
_cell_angle_alpha [85.2383]
_cell_angle_beta [88.2155]
_cell_angle_gamma [89.7377]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H4BrNCl2]
_chemical_formula_sum '[H8 Br2 N2 Cl4]'
_cell_volume [285.9004]
_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
[
  H  H0  1  0.1131  0.0050  0.0368  1.0
  H  H1  1  0.1381  0.0166  0.6494  1.0
  H  H2  1  0.8024  0.9193  0.0131  1.0
  H  H3  1  0.8054  0.9822  0.6630  1.0
  H  H4  1  0.8554  0.0684  0.1527  1.0
  H  H5  1  0.9397  0.1447  0.5240  1.0
  H  H6  1  0.9760  0.8182  0.1624  1.0
  H  H7  1  0.9847  0.8782  0.5244  1.0
  Br  Br8  1  0.1777  0.6125  0.8422  1.0
  Br  Br9  1  0.4822  0.1098  0.3395  1.0
  N  N10  1  0.9395  0.9520  0.0901  1.0
  N  N11  1  0.9676  0.0052  0.5909  1.0
  Cl  Cl12  1  0.4761  0.9459  0.8411  1.0
  Cl  Cl13  1  0.4878  0.5996  0.3601  1.0
  Cl  Cl14  1  0.8672  0.3479  0.8410  1.0
  Cl  Cl15  1  0.9872  0.5946  0.3692  1.0
]