data_[La2Ti2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [8.1489]
_cell_length_b [5.3205]
_cell_length_c [7.3409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LaTi(PO4)2]
_chemical_formula_sum '[La2 Ti2 P4 O16]'
_cell_volume [317.7357]
_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
[
  La  La0  2  0.0000  0.9537  0.5000  1.0
  Ti  Ti1  2  0.0000  0.9986  0.0000  1.0
  P  P2  4  0.1372  0.5015  0.7723  1.0
  O  O3  4  0.0146  0.7247  0.7948  1.0
  O  O4  4  0.0463  0.2434  0.7735  1.0
  O  O5  4  0.2068  0.5445  0.5825  1.0
  O  O6  4  0.2326  0.0098  0.0691  1.0
]