# generated using pymatgen
data_Li3V2(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89962900
_cell_length_b   5.89962900
_cell_length_c   5.89659255
_cell_angle_alpha   60.19053901
_cell_angle_beta   60.19053901
_cell_angle_gamma   60.76116941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V2(NiO4)2
_chemical_formula_sum   'Li3 V2 Ni2 O8'
_cell_volume   146.36288734
_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  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  V  V3  1  0.00000000  0.00000000  0.00000000  1
  V  V4  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.00000000  0.50000000  0.00000000  1
  O  O7  1  0.77144800  0.77144800  0.22198900  1
  O  O8  1  0.22524600  0.22524600  0.26841700  1
  O  O9  1  0.77659900  0.22064500  0.26497100  1
  O  O10  1  0.22064500  0.77659900  0.26497100  1
  O  O11  1  0.77935500  0.22340100  0.73502900  1
  O  O12  1  0.22340100  0.77935500  0.73502900  1
  O  O13  1  0.77475400  0.77475400  0.73158300  1
  O  O14  1  0.22855200  0.22855200  0.77801100  1
