data_[Ce2Pa2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pa  1.5000  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5052]
_cell_length_b [3.2937]
_cell_length_c [7.7043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CePaMoN3]
_chemical_formula_sum '[Ce2 Pa2 Mo2 N6]'
_cell_volume [189.3329]
_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  0.1523  0.7500  0.1778  1
  Pa  Pa1  2  0.3624  0.2500  0.8290  1
  Mo  Mo2  2  0.1102  0.7500  0.5824  1
  N  N3  2  0.1293  0.7500  0.8587  1
  N  N4  2  0.1778  0.2500  0.4227  1
  N  N5  2  0.4085  0.2500  0.1163  1
]