data_[Mn4C16N4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2019]
_cell_length_b [7.0141]
_cell_length_c [9.9413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnC4NO5]
_chemical_formula_sum '[Mn4 C16 N4 O20]'
_cell_volume [811.2549]
_cell_formula_units_Z [4]
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  4  0.0000  0.1394  0.2500  1
  C  C1  8  0.0764  0.2852  0.4025  1
  C  C2  8  0.1299  0.1646  0.1893  1
  N  N3  4  0.0000  0.1027  0.7500  1
  O  O4  8  0.1268  0.3700  0.5023  1
  O  O5  8  0.2101  0.1846  0.1517  1
  O  O6  4  0.0000  0.2706  0.7500  1
]