data_[Ce8Ta4Cr4N20]
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
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2861]
_cell_length_b [13.1509]
_cell_length_c [10.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TaCrN5]
_chemical_formula_sum '[Ce8 Ta4 Cr4 N20]'
_cell_volume [442.5216]
_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  0.3576  0.8001  1.0
  Ce  Ce1  4  0.0000  0.3900  0.1912  1.0
  Ta  Ta2  4  0.0000  0.2898  0.5089  1.0
  Cr  Cr3  4  0.0000  0.0216  0.9632  1.0
  N  N4  4  0.0000  0.0084  0.2867  1.0
  N  N5  4  0.0000  0.1336  0.4997  1.0
  N  N6  4  0.0000  0.1808  0.8775  1.0
  N  N7  4  0.0000  0.2160  0.1497  1.0
  N  N8  4  0.0000  0.4535  0.5469  1.0
]