data_[Ac2Fe2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [I-4m2]
_cell_length_a [7.1979]
_cell_length_b [7.1979]
_cell_length_c [6.0818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [AcFe(PO4)2]
_chemical_formula_sum '[Ac2 Fe2 P4 O16]'
_cell_volume [315.0945]
_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
[
  Ac  Ac0  2  0.0000  0.5000  0.2500  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  P  P2  2  0.0000  0.0000  0.5000  1
  P  P3  2  0.0000  0.5000  0.7500  1
  O  O4  8  0.0000  0.1609  0.3292  1
  O  O5  8  0.0000  0.3217  0.8974  1
]