data_[Ce2Y2Zr4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7935]
_cell_length_b [4.7935]
_cell_length_c [9.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CeYZr2N4]
_chemical_formula_sum '[Ce2 Y2 Zr4 N8]'
_cell_volume [220.1931]
_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  0.0000  0.5000  0.7500  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Zr  Zr2  2  0.0000  0.0000  0.5000  1
  Zr  Zr3  2  0.0000  0.5000  0.2500  1
  N  N4  4  0.0000  0.0000  0.2562  1
  N  N5  4  0.0000  0.5000  0.0059  1
]