data_[Nd2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7371]
_cell_length_b [3.8025]
_cell_length_c [7.9856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdMoN3]
_chemical_formula_sum '[Nd2 Mo2 N6]'
_cell_volume [164.3503]
_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  0.2692  0.2500  0.8099  1
  Mo  Mo1  2  0.3444  0.2500  0.3286  1
  N  N2  2  0.0154  0.2500  0.2702  1
  N  N3  2  0.4351  0.2500  0.1259  1
  N  N4  2  0.4808  0.7500  0.3910  1
]