data_[Yb2Ti2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  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/m]
_cell_length_a [8.0871]
_cell_length_b [5.2606]
_cell_length_c [6.9636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbTi(PO4)2]
_chemical_formula_sum '[Yb2 Ti2 P4 O16]'
_cell_volume [296.1801]
_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
[
  Yb  Yb0  2  0.0000  0.0000  0.5000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.1425  0.5000  0.7668  1.0
  O  O3  8  0.0320  0.2571  0.7915  1.0
  O  O4  4  0.2171  0.5000  0.5704  1.0
  O  O5  4  0.2283  0.0000  0.0654  1.0
]