data_[Fe2P4O14]
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 [P-1]
_cell_length_a [4.9451]
_cell_length_b [6.5585]
_cell_length_c [8.5878]
_cell_angle_alpha [69.3629]
_cell_angle_beta [87.6645]
_cell_angle_gamma [88.5984]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeP2O7]
_chemical_formula_sum '[Fe2 P4 O14]'
_cell_volume [260.4157]
_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  2  0.2418  0.2085  0.7325  1.0
  P  P1  2  0.2454  0.1081  0.1625  1.0
  P  P2  2  0.2719  0.4549  0.3158  1.0
  O  O3  2  0.0492  0.9503  0.7685  1.0
  O  O4  2  0.0842  0.6525  0.2378  1.0
  O  O5  2  0.1762  0.2913  0.4797  1.0
  O  O6  2  0.2904  0.3426  0.1760  1.0
  O  O7  2  0.2914  0.1368  0.9830  1.0
  O  O8  2  0.4345  0.4686  0.6824  1.0
  O  O9  2  0.4437  0.9476  0.2837  1.0
]