data_[Ce4Pr4Mo4N16]
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 [Cmcm]
_cell_length_a [5.5835]
_cell_length_b [12.6054]
_cell_length_c [5.5941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CePrMoN4]
_chemical_formula_sum '[Ce4 Pr4 Mo4 N16]'
_cell_volume [393.7270]
_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  0.1023  0.2500  1.0
  Pr  Pr1  4  0.0000  0.3912  0.2500  1.0
  Mo  Mo2  4  0.0000  0.2649  0.7500  1.0
  N  N3  8  0.2500  0.2500  0.0000  1.0
  N  N4  4  0.0000  0.0679  0.7500  1.0
  N  N5  4  0.0000  0.4189  0.7500  1.0
]