data_[Mn2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1464]
_cell_length_b [5.6984]
_cell_length_c [5.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnNbN3]
_chemical_formula_sum '[Mn2 Nb2 N6]'
_cell_volume [124.5625]
_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  0.0242  0.2500  0.7786  1
  Nb  Nb1  2  0.0657  0.7500  0.7234  1
  N  N2  2  0.0000  0.0000  0.0000  1
  N  N3  2  0.3287  0.2500  0.5505  1
  N  N4  2  0.3653  0.7500  0.4561  1
]