data_[Nd2Mn6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [17.1420]
_cell_length_b [5.2365]
_cell_length_c [9.5138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Nd(MnN)3]
_chemical_formula_sum '[Nd2 Mn6 N6]'
_cell_volume [854.0092]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.6784  1
  Mn  Mn1  4  0.0625  0.5940  0.8738  1
  Mn  Mn2  2  0.0000  0.0000  0.0204  1
  N  N3  4  0.0464  0.2167  0.4563  1
  N  N4  2  0.0000  0.0000  0.2099  1
]