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/m]
_cell_length_a [8.3376]
_cell_length_b [8.2981]
_cell_length_c [3.8678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnH6(NCl)2]
_chemical_formula_sum '[Mn2 H12 N4 Cl4]'
_cell_volume [266.9053]
_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  0.5000  0.0000  1.0
  H  H1  8  0.1874  0.0993  0.8327  1.0
  H  H2  4  0.1896  0.0000  0.1996  1.0
  N  N3  4  0.2358  0.0000  0.9617  1.0
  Cl  Cl4  4  0.0000  0.2862  0.5000  1.0
]