data_[Y2Ti2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [8.1402]
_cell_length_b [5.3726]
_cell_length_c [6.9578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [YTi(PO4)2]
_chemical_formula_sum '[Y2 Ti2 P4 O16]'
_cell_volume [304.1415]
_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
[
  Y  Y0  2  0.0000  0.9922  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  P  P2  4  0.1455  0.5001  0.2637  1.0
  O  O3  4  0.0338  0.7380  0.2730  1.0
  O  O4  4  0.0386  0.2572  0.2689  1.0
  O  O5  4  0.2312  0.5079  0.0709  1.0
  O  O6  4  0.2344  0.0007  0.5617  1.0
]