data_[Ce2Y6Zr4N12]
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 [C2/m]
_cell_length_a [14.8845]
_cell_length_b [3.4037]
_cell_length_c [6.8453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeY3Zr2N6]
_chemical_formula_sum '[Ce2 Y6 Zr4 N12]'
_cell_volume [337.4868]
_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  0.0000  1
  Y  Y1  4  0.1681  0.0000  0.8312  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Zr  Zr3  4  0.1692  0.0000  0.3387  1
  N  N4  4  0.0072  0.0000  0.2551  1
  N  N5  4  0.1685  0.5000  0.0994  1
  N  N6  4  0.1714  0.5000  0.5753  1
]