data_[Nd24As4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7780]
_cell_length_b [12.2326]
_cell_length_c [19.0689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd6AsN4]
_chemical_formula_sum '[Nd24 As4 N16]'
_cell_volume [881.2544]
_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  8  0.0000  0.0424  0.1500  1
  Nd  Nd1  8  0.0000  0.2222  0.5781  1
  Nd  Nd2  4  0.0000  0.3475  0.2500  1
  Nd  Nd3  4  0.0000  0.5000  0.0000  1
  As  As4  4  0.0000  0.3361  0.7500  1
  N  N5  8  0.0000  0.1390  0.0397  1
  N  N6  8  0.0000  0.4142  0.1240  1
]