data_[Fe6P6O24]
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 [C222]
_cell_length_a [5.3388]
_cell_length_b [9.3313]
_cell_length_c [11.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [FePO4]
_chemical_formula_sum '[Fe6 P6 O24]'
_cell_volume [597.2284]
_cell_formula_units_Z [6]
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  4  0.2500  0.2500  0.3351  1.0
  Fe  Fe1  2  0.0000  0.5000  0.0000  1.0
  P  P2  4  0.2500  0.2500  0.8309  1.0
  P  P3  2  0.0000  0.5000  0.5000  1.0
  O  O4  8  0.0234  0.2097  0.7569  1.0
  O  O5  8  0.1706  0.4064  0.4264  1.0
  O  O6  8  0.1903  0.3817  0.9033  1.0
]