data_[Ce6Mg2Zr4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  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 [5.8589]
_cell_length_b [10.1512]
_cell_length_c [5.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3MgZr2N6]
_chemical_formula_sum '[Ce6 Mg2 Zr4 N12]'
_cell_volume [333.4602]
_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  0.1649  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Zr  Zr3  4  0.0000  0.3329  0.0000  1.0
  N  N4  8  0.2459  0.1696  0.2285  1.0
  N  N5  4  0.2370  0.5000  0.2267  1.0
]