data_[Ce8Pr4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7282]
_cell_length_b [6.7282]
_cell_length_c [11.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ce2PrMoN5]
_chemical_formula_sum '[Ce8 Pr4 Mo4 N20]'
_cell_volume [525.9503]
_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  8  0.1737  0.3263  0.0000  1.0
  Pr  Pr1  4  0.0000  0.0000  0.2500  1.0
  Mo  Mo2  4  0.0000  0.5000  0.2500  1.0
  N  N3  16  0.1528  0.3472  0.3544  1.0
  N  N4  4  0.0000  0.0000  0.0000  1.0
]