data_[Li3V1Fe1P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  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 [4.9964]
_cell_length_b [7.0690]
_cell_length_c [8.3165]
_cell_angle_alpha [89.9597]
_cell_angle_beta [89.4706]
_cell_angle_gamma [71.1463]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3VFe(P2O7)2]
_chemical_formula_sum '[Li3 V1 Fe1 P4 O14]'
_cell_volume [277.9627]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.1728  0.3340  0.8559  1
  Li  Li1  1  0.2808  0.9062  0.1627  1
  Li  Li2  1  0.8264  0.6595  0.3559  1
  V  V3  1  0.2120  0.2750  0.5046  1
  Fe  Fe4  1  0.7946  0.7249  0.9875  1
  P  P5  1  0.2151  0.9166  0.7845  1
  P  P6  1  0.3955  0.4759  0.1810  1
  P  P7  1  0.6015  0.5206  0.6817  1
  P  P8  1  0.7905  0.0879  0.2925  1
  O  O9  1  0.0697  0.1276  0.3286  1
  O  O10  1  0.1519  0.1153  0.6928  1
  O  O11  1  0.2008  0.5011  0.0380  1
  O  O12  1  0.2355  0.4834  0.3419  1
  O  O13  1  0.3774  0.9262  0.9395  1
  O  O14  1  0.3862  0.4069  0.6747  1
  O  O15  1  0.4247  0.7556  0.6610  1
  O  O16  1  0.5600  0.6267  0.1859  1
  O  O17  1  0.6025  0.0914  0.4373  1
  O  O18  1  0.6212  0.2533  0.1624  1
  O  O19  1  0.7562  0.4905  0.8412  1
  O  O20  1  0.8047  0.4783  0.5355  1
  O  O21  1  0.8730  0.8878  0.2015  1
  O  O22  1  0.9527  0.8595  0.8142  1
]