# generated using pymatgen
data_LiV4(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92666878
_cell_length_b   6.73667728
_cell_length_c   5.74195280
_cell_angle_alpha   72.64035733
_cell_angle_beta   103.81310697
_cell_angle_gamma   98.07207979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV4(NiO6)2
_chemical_formula_sum   'Li1 V4 Ni2 O12'
_cell_volume   247.64237894
_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  0.22503900  0.29273100  0.17352200  1
  V  V1  1  0.21283700  0.62145000  0.74264800  1
  V  V2  1  0.40142300  0.83805800  0.20420600  1
  V  V3  1  0.61808800  0.18234500  0.76560800  1
  V  V4  1  0.79018200  0.37937000  0.24585100  1
  Ni  Ni5  1  0.08718100  0.08029900  0.76202600  1
  Ni  Ni6  1  0.92506400  0.91816000  0.26799800  1
  O  O7  1  0.04222300  0.81333600  0.64388700  1
  O  O8  1  0.09816900  0.37276100  0.79125000  1
  O  O9  1  0.18600600  0.99065000  0.14813700  1
  O  O10  1  0.36057200  0.65933400  0.52678100  1
  O  O11  1  0.39570200  0.04233100  0.80668200  1
  O  O12  1  0.34361000  0.60974800  0.05452500  1
  O  O13  1  0.66613600  0.37579000  0.93481300  1
  O  O14  1  0.64152500  0.93634500  0.28605800  1
  O  O15  1  0.60530800  0.31069700  0.44278800  1
  O  O16  1  0.81099600  0.02765800  0.86499900  1
  O  O17  1  0.88328900  0.62129400  0.23357500  1
  O  O18  1  0.98665000  0.21764100  0.35464800  1
