data_[Al4Fe2P4O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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/c]
_cell_length_a [9.9127]
_cell_length_b [9.8817]
_cell_length_c [6.9803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Al2Fe(PO9)2]
_chemical_formula_sum '[Al4 Fe2 P4 O36]'
_cell_volume [677.1232]
_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
[
  Al  Al0  4  0.4855  0.2359  0.3601  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  P  P2  4  0.3196  0.0406  0.5739  1
  O  O3  4  0.0318  0.6153  0.7049  1
  O  O4  4  0.1122  0.6242  0.4171  1
  O  O5  4  0.1338  0.1245  0.0356  1
  O  O6  4  0.1681  0.0129  0.5825  1
  O  O7  4  0.3429  0.1249  0.3966  1
  O  O8  4  0.3654  0.6470  0.6831  1
  O  O9  4  0.3818  0.1113  0.7647  1
  O  O10  4  0.3832  0.6006  0.0533  1
  O  O11  4  0.4920  0.6971  0.3918  1
]