data_[La4Ce8P4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [I4/mcm]
_cell_length_a [6.6977]
_cell_length_b [6.6977]
_cell_length_c [10.9324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LaCe2PN5]
_chemical_formula_sum '[La4 Ce8 P4 N20]'
_cell_volume [490.4172]
_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
[
  La  La0  4  0.0000  0.0000  0.2500  1.0
  Ce  Ce1  8  0.1823  0.6823  0.5000  1.0
  P  P2  4  0.0000  0.5000  0.2500  1.0
  N  N3  16  0.1356  0.3644  0.3471  1.0
  N  N4  4  0.0000  0.0000  0.0000  1.0
]