data_[Ce2Zr2Ta2N6]
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/m]
_cell_length_a [5.6931]
_cell_length_b [3.2870]
_cell_length_c [8.5318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeZrTaN3]
_chemical_formula_sum '[Ce2 Zr2 Ta2 N6]'
_cell_volume [155.5306]
_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  2  0.3567  0.2500  0.3101  1.0
  Zr  Zr1  2  0.2328  0.7500  0.9514  1.0
  Ta  Ta2  2  0.1236  0.2500  0.6373  1.0
  N  N3  2  0.0418  0.7500  0.1592  1.0
  N  N4  2  0.2489  0.7500  0.5110  1.0
  N  N5  2  0.4384  0.2500  0.8371  1.0
]