data_[Ce2Ti2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.1556]
_cell_length_b [5.3365]
_cell_length_c [7.2888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CeTi(PO4)2]
_chemical_formula_sum '[Ce2 Ti2 P4 O16]'
_cell_volume [316.7381]
_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
[
  Ce  Ce0  2  0.0000  0.9593  0.5000  1.0
  Ti  Ti1  2  0.0000  0.9981  0.0000  1.0
  P  P2  4  0.1383  0.5012  0.7723  1.0
  O  O3  4  0.0185  0.7272  0.7941  1.0
  O  O4  4  0.0441  0.2471  0.7753  1.0
  O  O5  4  0.2103  0.5393  0.5823  1.0
  O  O6  4  0.2318  0.0066  0.0673  1.0
]