data_[Mn1H2N1O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4026]
_cell_length_b [3.4017]
_cell_length_c [7.1043]
_cell_angle_alpha [87.1995]
_cell_angle_beta [86.6344]
_cell_angle_gamma [59.9823]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnH2NO]
_chemical_formula_sum '[Mn1 H2 N1 O1]'
_cell_volume [71.0602]
_cell_formula_units_Z [1]
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  1  0.4600  0.8386  0.4697  1
  H  H1  1  0.0613  0.4086  0.0173  1
  H  H2  1  0.1737  0.4826  0.9409  1
  N  N3  1  0.8016  0.1763  0.3836  1
  O  O4  1  0.7821  0.1648  0.5943  1
]