data_[Fe8P4O20]
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 [I4_1/amd]
_cell_length_a [5.4185]
_cell_length_b [5.4185]
_cell_length_c [12.6600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Fe2PO5]
_chemical_formula_sum '[Fe8 P4 O20]'
_cell_volume [371.6921]
_cell_formula_units_Z [4]
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  8  0.0000  0.2500  0.6250  1.0
  P  P1  4  0.0000  0.0000  0.0000  1.0
  O  O2  16  0.0000  0.2376  0.9325  1.0
  O  O3  4  0.0000  0.0000  0.5000  1.0
]