data_[Mn2H12N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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]
_cell_length_a [8.2734]
_cell_length_b [8.3072]
_cell_length_c [3.8291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnH6(NCl)2]
_chemical_formula_sum '[Mn2 H12 N4 Cl4]'
_cell_volume [263.0335]
_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
[
  Mn  Mn0  2  0.0000  0.9992  0.0000  1.0
  H  H1  4  0.1798  0.5345  0.1971  1.0
  H  H2  4  0.1802  0.4050  0.8740  1.0
  H  H3  4  0.1987  0.5982  0.7979  1.0
  N  N4  4  0.2344  0.5083  0.9674  1.0
  Cl  Cl5  2  0.0000  0.2159  0.5000  1.0
  Cl  Cl6  2  0.0000  0.7830  0.5000  1.0
]