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 [C2]
_cell_length_a [6.7093]
_cell_length_b [8.0378]
_cell_length_c [4.6181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [FeP2O7]
_chemical_formula_sum '[Fe2 P4 O14]'
_cell_volume [242.9438]
_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  0.0000  0.8896  0.0000  1.0
  P  P1  4  0.1964  0.5352  0.4104  1.0
  O  O2  4  0.1337  0.7040  0.2684  1.0
  O  O3  4  0.1415  0.0547  0.3019  1.0
  O  O4  4  0.2411  0.9122  0.8063  1.0
  O  O5  2  0.0000  0.4515  0.5000  1.0
]