data_[Mn1H2C1]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.7217]
_cell_length_b [2.8059]
_cell_length_c [3.8317]
_cell_angle_alpha [69.0839]
_cell_angle_beta [69.4063]
_cell_angle_gamma [61.1363]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnH2C]
_chemical_formula_sum '[Mn1 H2 C1]'
_cell_volume [23.3550]
_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  0.0909  0.4558  0.8839  1
  H  H1  1  0.0904  0.0422  0.3504  1
  H  H2  1  0.8108  0.1713  0.7240  1
  C  C3  1  0.3263  0.6424  0.2303  1
]