data_[Ce4Ta2Mo2N12]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5612]
_cell_length_b [5.7005]
_cell_length_c [9.6877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2TaMoN6]
_chemical_formula_sum '[Ce4 Ta2 Mo2 N12]'
_cell_volume [251.2202]
_cell_formula_units_Z [2]
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  0.2431  0.0543  0.2499  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  2  0.5000  0.0000  0.0000  1.0
  N  N3  4  0.1514  0.1949  0.9527  1.0
  N  N4  4  0.2575  0.6996  0.9515  1.0
  N  N5  4  0.3438  0.0257  0.7522  1.0
]