data_[Mn4Cd16N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6963]
_cell_length_b [6.5349]
_cell_length_c [8.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(CdN)4]
_chemical_formula_sum '[Mn4 Cd16 N16]'
_cell_volume [566.5308]
_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  0.1946  0.5000  0.7730  1
  Cd  Cd1  8  0.0901  0.2394  0.3786  1
  Cd  Cd2  4  0.0000  0.2589  0.0000  1
  Cd  Cd3  4  0.1730  0.0000  0.7908  1
  N  N4  8  0.2012  0.2869  0.6588  1
  N  N5  4  0.0357  0.5000  0.8060  1
  N  N6  4  0.1670  0.0000  0.0467  1
]