data_[Ce8Zr4Mo4N20]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4082]
_cell_length_b [13.5558]
_cell_length_c [10.3332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ZrMoN5]
_chemical_formula_sum '[Ce8 Zr4 Mo4 N20]'
_cell_volume [477.4083]
_cell_formula_units_Z [4]
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  0.1131  0.6888  1.0
  Ce  Ce1  4  0.0000  0.1445  0.2978  1.0
  Zr  Zr2  4  0.0000  0.2128  0.0068  1.0
  Mo  Mo3  4  0.0000  0.4751  0.4634  1.0
  N  N4  4  0.0000  0.0453  0.0523  1.0
  N  N5  4  0.0000  0.2824  0.6583  1.0
  N  N6  4  0.0000  0.3203  0.3709  1.0
  N  N7  4  0.0000  0.3703  0.0019  1.0
  N  N8  4  0.0000  0.4889  0.7837  1.0
]