data_[Nd4Os4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0779]
_cell_length_b [4.0278]
_cell_length_c [7.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdOsN3]
_chemical_formula_sum '[Nd4 Os4 N12]'
_cell_volume [334.0484]
_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  0.1621  0.0000  0.7973  1
  Os  Os1  4  0.0430  0.5000  0.1740  1
  N  N2  4  0.1126  0.5000  0.4160  1
  N  N3  4  0.1323  0.5000  0.9836  1
  N  N4  4  0.1502  0.5000  0.5757  1
]