data_[Ce4Ta16N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1594]
_cell_length_b [10.3293]
_cell_length_c [15.6451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce(Ta2N3)2]
_chemical_formula_sum '[Ce4 Ta16 N24]'
_cell_volume [510.5767]
_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
[
  Ce  Ce0  4  0.0000  0.3420  0.7500  1
  Ta  Ta1  8  0.0000  0.1464  0.0415  1
  Ta  Ta2  8  0.0000  0.3993  0.1282  1
  N  N3  8  0.0000  0.0340  0.1567  1
  N  N4  8  0.0000  0.2374  0.5953  1
  N  N5  4  0.0000  0.3355  0.2500  1
  N  N6  4  0.0000  0.5000  0.0000  1
]