data_[Fe4P4O14]
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 [P2_1/c]
_cell_length_a [4.5640]
_cell_length_b [10.1177]
_cell_length_c [5.5138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Fe2P2O7]
_chemical_formula_sum '[Fe4 P4 O14]'
_cell_volume [252.6133]
_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
[
  Fe  Fe0  4  0.1121  0.1577  0.9003  1
  P  P1  4  0.3572  0.6096  0.1551  1
  O  O2  4  0.1244  0.6810  0.9760  1
  O  O3  4  0.2130  0.5375  0.3556  1
  O  O4  4  0.3866  0.1987  0.2390  1
  O  O5  2  0.5000  0.0000  0.5000  1
]