data_[Mn8N16]
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 [Cmm2]
_cell_length_a [5.3071]
_cell_length_b [9.1533]
_cell_length_c [17.7913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MnN2]
_chemical_formula_sum '[Mn8 N16]'
_cell_volume [864.2628]
_cell_formula_units_Z [8]
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  0.2500  0.2500  0.5322  1
  Mn  Mn1  2  0.0000  0.0000  0.5874  1
  Mn  Mn2  2  0.0000  0.5000  0.5242  1
  N  N3  8  0.1216  0.1255  0.4488  1
  N  N4  4  0.0000  0.3407  0.5840  1
  N  N5  4  0.2428  0.5000  0.4306  1
]