data_[Ce12P4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1026]
_cell_length_b [11.5079]
_cell_length_c [5.4162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3PN6]
_chemical_formula_sum '[Ce12 P4 N24]'
_cell_volume [567.3559]
_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  0.1954  0.1073  0.9734  1.0
  Ce  Ce1  4  0.0000  0.3944  0.9466  1.0
  P  P2  4  0.0000  0.1933  0.5177  1.0
  N  N3  8  0.1432  0.2561  0.6545  1.0
  N  N4  8  0.1590  0.4921  0.2166  1.0
  N  N5  4  0.0000  0.0572  0.6176  1.0
  N  N6  4  0.0000  0.2106  0.2144  1.0
]