data_[Ce8Nd4Ta4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  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 [3.5569]
_cell_length_b [14.5266]
_cell_length_c [10.3885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2NdTaN5]
_chemical_formula_sum '[Ce8 Nd4 Ta4 N20]'
_cell_volume [536.7760]
_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  0.1068  0.6883  1.0
  Ce  Ce1  4  0.0000  0.1316  0.2708  1.0
  Nd  Nd2  4  0.0000  0.2229  0.9883  1.0
  Ta  Ta3  4  0.0000  0.4747  0.4648  1.0
  N  N4  4  0.0000  0.0513  0.0519  1.0
  N  N5  4  0.0000  0.2814  0.6809  1.0
  N  N6  4  0.0000  0.3440  0.3690  1.0
  N  N7  4  0.0000  0.3884  0.0262  1.0
  N  N8  4  0.0000  0.4814  0.7838  1.0
]