data_[Nd8Mn4Mo4N20]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2713]
_cell_length_b [14.0784]
_cell_length_c [10.0629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2MnMoN5]
_chemical_formula_sum '[Nd8 Mn4 Mo4 N20]'
_cell_volume [463.4445]
_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
[
  Nd  Nd0  4  0.0000  0.1205  0.6927  1.0
  Nd  Nd1  4  0.0000  0.1299  0.3160  1.0
  Mn  Mn2  4  0.0000  0.4461  0.4484  1.0
  Mo  Mo3  4  0.0000  0.2056  0.0190  1.0
  N  N4  4  0.0000  0.0348  0.0223  1.0
  N  N5  4  0.0000  0.3012  0.6544  1.0
  N  N6  4  0.0000  0.3204  0.3768  1.0
  N  N7  4  0.0000  0.3370  0.0053  1.0
  N  N8  4  0.0000  0.4974  0.2890  1.0
]