data_[Ca4Ce8Ta4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Cmcm]
_cell_length_a [3.5754]
_cell_length_b [13.4577]
_cell_length_c [11.3967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaCe2TaN5]
_chemical_formula_sum '[Ca4 Ce8 Ta4 N20]'
_cell_volume [548.3642]
_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
[
  Ca  Ca0  4  0.0000  0.2658  0.7500  1.0
  Ce  Ce1  8  0.0000  0.1365  0.5047  1.0
  Ta  Ta2  4  0.0000  0.4870  0.2500  1.0
  N  N3  8  0.0000  0.2793  0.0922  1.0
  N  N4  8  0.0000  0.4235  0.6181  1.0
  N  N5  4  0.0000  0.0814  0.7500  1.0
]