data_[Mn8N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5190]
_cell_length_b [2.7406]
_cell_length_c [19.0708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn4N3]
_chemical_formula_sum '[Mn8 N6]'
_cell_volume [654.3193]
_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  0.2774  0.5000  0.4920  1
  Mn  Mn1  2  0.3975  0.5000  0.6170  1
  Mn  Mn2  2  0.4492  0.5000  0.4036  1
  Mn  Mn3  2  0.4695  0.0000  0.5204  1
  N  N4  2  0.0726  0.0000  0.5129  1
  N  N5  2  0.1731  0.0000  0.5065  1
  N  N6  2  0.3683  0.0000  0.4476  1
]