data_[Ce4Zr2Ta2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6822]
_cell_length_b [5.8297]
_cell_length_c [9.8856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2ZrTaN6]
_chemical_formula_sum '[Ce4 Zr2 Ta2 N12]'
_cell_volume [268.3923]
_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  0.2610  0.5508  0.7488  1.0
  Zr  Zr1  2  0.0000  0.0000  0.5000  1.0
  Ta  Ta2  2  0.5000  0.0000  0.0000  1.0
  N  N3  4  0.1405  0.5465  0.2572  1.0
  N  N4  4  0.2620  0.1891  0.0601  1.0
  N  N5  4  0.3754  0.7019  0.0635  1.0
]