data_[Ca2Ce2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.6953]
_cell_length_b [5.1419]
_cell_length_c [7.9990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaCe(PO4)2]
_chemical_formula_sum '[Ca2 Ce2 P4 O16]'
_cell_volume [316.4976]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  2  0.0000  0.0607  0.5000  1.0
  Ce  Ce1  2  0.0000  0.0531  0.0000  1.0
  P  P2  4  0.1192  0.4961  0.2478  1.0
  O  O3  4  0.0414  0.3076  0.7653  1.0
  O  O4  4  0.0626  0.7854  0.2324  1.0
  O  O5  4  0.2118  0.4369  0.4120  1.0
  O  O6  4  0.2229  0.4170  0.0862  1.0
]