data_[Nd12Sb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.8094]
_cell_length_b [3.6019]
_cell_length_c [12.4635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6SbN3]
_chemical_formula_sum '[Nd12 Sb2 N6]'
_cell_volume [497.5655]
_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  0.0792  0.7500  0.9316  1
  Nd  Nd1  2  0.1680  0.2500  0.5066  1
  Nd  Nd2  2  0.2037  0.7500  0.2189  1
  Nd  Nd3  2  0.2877  0.7500  0.7868  1
  Nd  Nd4  2  0.4024  0.2500  0.0636  1
  Nd  Nd5  2  0.4603  0.2500  0.6563  1
  Sb  Sb6  2  0.0301  0.2500  0.6939  1
  N  N7  2  0.1408  0.2500  0.0808  1
  N  N8  2  0.3068  0.7500  0.6030  1
  N  N9  2  0.4424  0.2500  0.8622  1
]