data_[Ce4Hf8P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7886]
_cell_length_b [12.2419]
_cell_length_c [12.3248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce(HfP2)2]
_chemical_formula_sum '[Ce4 Hf8 P16]'
_cell_volume [571.6194]
_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  0.3931  0.2500  1
  Hf  Hf1  8  0.0000  0.1347  0.0571  1
  P  P2  8  0.0000  0.2358  0.6292  1
  P  P3  4  0.0000  0.0609  0.2500  1
  P  P4  4  0.0000  0.5000  0.0000  1
]