data_[Ti2Fe2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9781]
_cell_length_b [6.0256]
_cell_length_c [9.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiFe(PO4)2]
_chemical_formula_sum '[Ti2 Fe2 P4 O16]'
_cell_volume [299.6648]
_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
[
  Ti  Ti0  2  0.0294  0.2500  0.7236  1
  Fe  Fe1  2  0.4713  0.2500  0.2292  1
  P  P2  2  0.0562  0.7500  0.5972  1
  P  P3  2  0.3920  0.7500  0.1027  1
  O  O4  4  0.1925  0.5456  0.6692  1
  O  O5  4  0.2371  0.5552  0.1743  1
  O  O6  2  0.1426  0.7500  0.4470  1
  O  O7  2  0.2462  0.2500  0.3938  1
  O  O8  2  0.3086  0.2500  0.8544  1
  O  O9  2  0.3627  0.7500  0.9531  1
]