data_[Li4V2Fe2P8O28]
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 [7.0853]
_cell_length_b [9.7321]
_cell_length_c [10.5709]
_cell_angle_alpha [111.8150]
_cell_angle_beta [108.3204]
_cell_angle_gamma [91.7608]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2VFe(P2O7)2]
_chemical_formula_sum '[Li4 V2 Fe2 P8 O28]'
_cell_volume [633.3522]
_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
[
  Li  Li0  1  0.2603  0.8965  0.6462  1
  Li  Li1  1  0.3146  0.2002  0.5712  1
  Li  Li2  1  0.7381  0.1805  0.2135  1
  Li  Li3  1  0.8722  0.5776  0.0788  1
  V  V4  1  0.2689  0.3469  0.0018  1
  V  V5  1  0.6796  0.4939  0.3455  1
  Fe  Fe6  1  0.6739  0.9636  0.3960  1
  Fe  Fe7  1  0.9988  0.9220  0.0418  1
  P  P8  1  0.0013  0.0793  0.6947  1
  P  P9  1  0.0435  0.8864  0.3356  1
  P  P10  1  0.1331  0.4318  0.3525  1
  P  P11  1  0.3794  0.1797  0.3099  1
  P  P12  1  0.4568  0.5762  0.8447  1
  P  P13  1  0.4793  0.7951  0.4326  1
  P  P14  1  0.6554  0.0986  0.9065  1
  P  P15  1  0.8175  0.7794  0.6736  1
  O  O16  1  0.0274  0.7992  0.1752  1
  O  O17  1  0.0515  0.1819  0.8546  1
  O  O18  1  0.1152  0.4683  0.1017  1
  O  O19  1  0.1297  0.3561  0.1675  1
  O  O20  1  0.1734  0.0861  0.6395  1
  O  O21  1  0.2394  0.2869  0.3850  1
  O  O22  1  0.2519  0.0724  0.1560  1
  O  O23  1  0.2616  0.8276  0.4419  1
  O  O24  1  0.2766  0.4644  0.8742  1
  O  O25  1  0.3019  0.4059  0.7254  1
  O  O26  1  0.4313  0.9860  0.8607  1
  O  O27  1  0.4542  0.1014  0.4151  1
  O  O28  1  0.4589  0.1539  0.9646  1
  O  O29  1  0.4640  0.6268  0.3543  1
  O  O30  1  0.5531  0.2842  0.3165  1
  O  O31  1  0.5535  0.4105  0.1275  1
  O  O32  1  0.6004  0.8273  0.6131  1
  O  O33  1  0.6322  0.9295  0.2019  1
  O  O34  1  0.6649  0.5438  0.9017  1
  O  O35  1  0.6991  0.5463  0.1854  1
  O  O36  1  0.7934  0.0884  0.6025  1
  O  O37  1  0.8037  0.0736  0.0350  1
  O  O38  1  0.8176  0.0326  0.2946  1
  O  O39  1  0.8309  0.6312  0.5615  1
  O  O40  1  0.8510  0.7891  0.8246  1
  O  O41  1  0.8890  0.8255  0.3858  1
  O  O42  1  0.9140  0.3750  0.3302  1
  O  O43  1  0.9877  0.9042  0.6878  1
]