data_[Ce12Ta4N24]
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 [Cmc2_1]
_cell_length_a [9.2392]
_cell_length_b [11.6038]
_cell_length_c [5.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3TaN6]
_chemical_formula_sum '[Ce12 Ta4 N24]'
_cell_volume [607.3461]
_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  8  0.1951  0.1058  0.9720  1.0
  Ce  Ce1  4  0.0000  0.3953  0.9388  1.0
  Ta  Ta2  4  0.0000  0.1933  0.5057  1.0
  N  N3  8  0.1554  0.2646  0.6786  1.0
  N  N4  8  0.1586  0.4892  0.2142  1.0
  N  N5  4  0.0000  0.0446  0.6597  1.0
  N  N6  4  0.0000  0.2138  0.1516  1.0
]