data_[Li4Ce2Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/m]
_cell_length_a [14.0397]
_cell_length_b [3.1390]
_cell_length_c [6.5731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ce(TaN2)3]
_chemical_formula_sum '[Li4 Ce2 Ta6 N12]'
_cell_volume [277.0683]
_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
[
  Li  Li0  4  0.1780  0.0000  0.3662  1.0
  Ce  Ce1  2  0.0000  0.5000  0.0000  1.0
  Ta  Ta2  4  0.1736  0.0000  0.8249  1.0
  Ta  Ta3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0051  0.0000  0.7256  1.0
  N  N5  4  0.1626  0.5000  0.6030  1.0
  N  N6  4  0.1733  0.5000  0.0632  1.0
]