data_[Ce10Zr2N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0865]
_cell_length_b [10.5321]
_cell_length_c [6.0806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5ZrN6]
_chemical_formula_sum '[Ce10 Zr2 N12]'
_cell_volume [367.5729]
_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  0.0000  0.1668  0.5000  1
  Ce  Ce1  4  0.0000  0.3335  0.0000  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Zr  Zr3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2371  0.1584  0.2369  1
  N  N5  4  0.2361  0.0000  0.7584  1
]