data_[Ce4V4P8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1393]
_cell_length_b [9.9084]
_cell_length_c [5.6329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeV(PN3)2]
_chemical_formula_sum '[Ce4 V4 P8 N24]'
_cell_volume [522.4073]
_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  0.1172  0.2500  1.0
  V  V1  4  0.0000  0.2392  0.7500  1.0
  P  P2  8  0.2083  0.4255  0.2024  1.0
  N  N3  8  0.0977  0.3016  0.0745  1.0
  N  N4  8  0.1202  0.1197  0.6956  1.0
  N  N5  8  0.1992  0.4621  0.4820  1.0
]