data_[Fe4P4O16]
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 [P1]
_cell_length_a [5.2068]
_cell_length_b [7.4078]
_cell_length_c [10.4160]
_cell_angle_alpha [89.7497]
_cell_angle_beta [88.7970]
_cell_angle_gamma [89.7343]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FePO4]
_chemical_formula_sum '[Fe4 P4 O16]'
_cell_volume [401.6632]
_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  1  0.1976  0.7904  0.3558  1
  Fe  Fe1  1  0.3034  0.7878  0.8472  1
  Fe  Fe2  1  0.6849  0.2886  0.1506  1
  Fe  Fe3  1  0.8123  0.2864  0.6512  1
  P  P4  1  0.1862  0.0378  0.0992  1
  P  P5  1  0.3201  0.0384  0.5945  1
  P  P6  1  0.6901  0.5391  0.4048  1
  P  P7  1  0.8054  0.5376  0.9015  1
  O  O8  1  0.0916  0.5884  0.8829  1
  O  O9  1  0.1533  0.2038  0.6317  1
  O  O10  1  0.2449  0.9838  0.9583  1
  O  O11  1  0.2473  0.8742  0.1859  1
  O  O12  1  0.2488  0.8719  0.6776  1
  O  O13  1  0.2801  0.9946  0.4506  1
  O  O14  1  0.3470  0.2052  0.1331  1
  O  O15  1  0.4011  0.5922  0.3968  1
  O  O16  1  0.6047  0.0869  0.6146  1
  O  O17  1  0.6428  0.7022  0.8607  1
  O  O18  1  0.7392  0.3733  0.3183  1
  O  O19  1  0.7466  0.4864  0.5450  1
  O  O20  1  0.7474  0.3696  0.8194  1
  O  O21  1  0.7474  0.4901  0.0434  1
  O  O22  1  0.8584  0.7010  0.3628  1
  O  O23  1  0.8992  0.0898  0.1141  1
]