data_[Fe2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [5.2440]
_cell_length_b [5.2525]
_cell_length_c [6.3864]
_cell_angle_alpha [86.3213]
_cell_angle_beta [73.2103]
_cell_angle_gamma [68.8267]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FePO4]
_chemical_formula_sum '[Fe2 P2 O8]'
_cell_volume [156.8808]
_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
[
  Fe  Fe0  2  0.2562  0.2029  0.7070  1.0
  P  P1  2  0.1317  0.1746  0.2284  1.0
  O  O2  2  0.0545  0.9213  0.2165  1.0
  O  O3  2  0.1338  0.5850  0.6473  1.0
  O  O4  2  0.2713  0.2557  0.0011  1.0
  O  O5  2  0.3554  0.0976  0.3668  1.0
]