data_[Ce8Hf4Ta4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  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 [3.4017]
_cell_length_b [13.5441]
_cell_length_c [10.5825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HfTaN5]
_chemical_formula_sum '[Ce8 Hf4 Ta4 N20]'
_cell_volume [487.5638]
_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  0.1103  0.6938  1.0
  Ce  Ce1  4  0.0000  0.1453  0.2875  1.0
  Hf  Hf2  4  0.0000  0.2194  0.0076  1.0
  Ta  Ta3  4  0.0000  0.4764  0.4641  1.0
  N  N4  4  0.0000  0.0547  0.0544  1.0
  N  N5  4  0.0000  0.2779  0.6523  1.0
  N  N6  4  0.0000  0.3173  0.3805  1.0
  N  N7  4  0.0000  0.3755  0.0022  1.0
  N  N8  4  0.0000  0.4916  0.7815  1.0
]