data_[Ce8Ta4Si4N20]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1848]
_cell_length_b [14.0356]
_cell_length_c [10.2291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TaSiN5]
_chemical_formula_sum '[Ce8 Ta4 Si4 N20]'
_cell_volume [457.2530]
_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  0.1124  0.6847  1.0
  Ce  Ce1  4  0.0000  0.1345  0.3162  1.0
  Ta  Ta2  4  0.0000  0.2093  0.0242  1.0
  Si  Si3  4  0.0000  0.4513  0.4385  1.0
  N  N4  4  0.0000  0.0383  0.0195  1.0
  N  N5  4  0.0000  0.2939  0.6600  1.0
  N  N6  4  0.0000  0.3263  0.3859  1.0
  N  N7  4  0.0000  0.3469  0.0071  1.0
  N  N8  4  0.0000  0.4931  0.7878  1.0
]