data_[Mn2P2H30C6N2Cl6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.4326]
_cell_length_b [10.8654]
_cell_length_c [8.8119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [MnPH15C3N(ClO)3]
_chemical_formula_sum '[Mn2 P2 H30 C6 N2 Cl6 O6]'
_cell_volume [606.1262]
_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  0.0171  0.9967  0.1308  1
  P  P1  2  0.2622  0.4993  0.2493  1
  H  H2  2  0.0147  0.6250  0.4779  1
  H  H3  2  0.0238  0.2004  0.6945  1
  H  H4  2  0.0942  0.3855  0.4243  1
  H  H5  2  0.1100  0.7700  0.4579  1
  H  H6  2  0.2171  0.7928  0.9997  1
  H  H7  2  0.2183  0.2860  0.3030  1
  H  H8  2  0.2482  0.1913  0.0244  1
  H  H9  2  0.3608  0.9902  0.7028  1
  H  H10  2  0.3609  0.7093  0.3161  1
  H  H11  2  0.3751  0.3659  0.4635  1
  H  H12  2  0.3929  0.6145  0.4852  1
  H  H13  2  0.3955  0.8558  0.1184  1
  H  H14  2  0.4200  0.1288  0.1500  1
  H  H15  2  0.4631  0.0636  0.8842  1
  H  H16  2  0.4755  0.8998  0.8653  1
  C  C17  2  0.2349  0.3709  0.3720  1
  C  C18  2  0.2894  0.6359  0.3753  1
  C  C19  2  0.4845  0.9879  0.8063  1
  N  N20  2  0.0844  0.6836  0.4070  1
  Cl  Cl21  2  0.1775  0.9793  0.4222  1
  Cl  Cl22  2  0.2377  0.6628  0.8109  1
  Cl  Cl23  2  0.2548  0.3208  0.8432  1
  O  O24  2  0.0766  0.5155  0.1180  1
  O  O25  2  0.2407  0.8450  0.0936  1
  O  O26  2  0.2654  0.1359  0.1153  1
]