# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17263700
_cell_length_b   8.08875722
_cell_length_c   9.72631001
_cell_angle_alpha   89.96392773
_cell_angle_beta   68.62739163
_cell_angle_gamma   89.92342150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li2 V2 Fe2 P8 O28'
_cell_volume   525.49113650
_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  0.07688000  0.86416100  0.25025900  1
  Li  Li1  1  0.92286700  0.36115900  0.74832700  1
  V  V2  1  0.03473100  0.49505600  0.24357000  1
  V  V3  1  0.52848200  0.50715800  0.74408700  1
  Fe  Fe4  1  0.47668400  0.00976000  0.25780900  1
  Fe  Fe5  1  0.96711800  0.99418500  0.75742800  1
  P  P6  1  0.84691900  0.77919900  0.06536500  1
  P  P7  1  0.45740500  0.67775400  0.06263300  1
  P  P8  1  0.03574000  0.18088600  0.44047100  1
  P  P9  1  0.35022800  0.78178700  0.56457500  1
  P  P10  1  0.65020700  0.28550700  0.43597900  1
  P  P11  1  0.96300800  0.68185700  0.56016000  1
  P  P12  1  0.54074300  0.17733200  0.93910300  1
  P  P13  1  0.15503700  0.28378100  0.93331900  1
  O  O14  1  0.66954800  0.64763600  0.07951200  1
  O  O15  1  0.76001600  0.93204800  0.15992300  1
  O  O16  1  0.50380000  0.17860200  0.10283600  1
  O  O17  1  0.37844500  0.84724200  0.12716100  1
  O  O18  1  0.32128100  0.53738600  0.14759200  1
  O  O19  1  0.05181500  0.33191300  0.09718300  1
  O  O20  1  0.98425200  0.68537300  0.12959600  1
  O  O21  1  0.50503900  0.19378400  0.38421300  1
  O  O22  1  0.45464500  0.82595800  0.40248300  1
  O  O23  1  0.16494100  0.04050700  0.34980100  1
  O  O24  1  0.10795900  0.35182000  0.37152400  1
  O  O25  1  0.99904900  0.67351900  0.39314200  1
  O  O26  1  0.75435200  0.43588200  0.34168400  1
  O  O27  1  0.82039100  0.14974900  0.42654000  1
  O  O28  1  0.17382100  0.64602000  0.57705200  1
  O  O29  1  0.25292300  0.93016000  0.66036300  1
  O  O30  1  0.00688900  0.18399200  0.60326800  1
  O  O31  1  0.88901000  0.85178900  0.62023000  1
  O  O32  1  0.82987900  0.53999700  0.64918900  1
  O  O33  1  0.55222200  0.33971100  0.59851300  1
  O  O34  1  0.48842200  0.68109100  0.62187800  1
  O  O35  1  0.00861200  0.20007800  0.87556300  1
  O  O36  1  0.95602400  0.81827000  0.90348100  1
  O  O37  1  0.67451900  0.04014900  0.85082500  1
  O  O38  1  0.61626200  0.34776000  0.86534000  1
  O  O39  1  0.49740200  0.66564200  0.89572100  1
  O  O40  1  0.24829600  0.43795500  0.84012500  1
  O  O41  1  0.32418800  0.15020100  0.92227100  1
