data_[Ce4Pa8P16]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9918]
_cell_length_b [13.3453]
_cell_length_c [12.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce(PaP2)2]
_chemical_formula_sum '[Ce4 Pa8 P16]'
_cell_volume [670.6583]
_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  0.3848  0.2500  1
  Pa  Pa1  8  0.0000  0.1314  0.0641  1
  P  P2  8  0.0000  0.2354  0.6258  1
  P  P3  4  0.0000  0.0342  0.2500  1
  P  P4  4  0.0000  0.5000  0.0000  1
]