# generated using pymatgen
data_Li2V4CuNiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85428409
_cell_length_b   6.85428409
_cell_length_c   5.80226376
_cell_angle_alpha   74.43627334
_cell_angle_beta   74.43627334
_cell_angle_gamma   83.16591339
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2V4CuNiO12
_chemical_formula_sum   'Li2 V4 Cu1 Ni1 O12'
_cell_volume   252.64830983
_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  0.75559600  0.24440400  0.50000000  1
  Li  Li1  1  0.24052500  0.75947500  0.00000000  1
  V  V2  1  0.79946600  0.60921400  0.01596600  1
  V  V3  1  0.60700700  0.80444000  0.51935000  1
  V  V4  1  0.39078600  0.20053400  0.98403400  1
  V  V5  1  0.19556000  0.39299300  0.48065000  1
  Cu  Cu6  1  0.90470900  0.09529100  0.00000000  1
  Ni  Ni7  1  0.08381600  0.91618400  0.50000000  1
  O  O8  1  0.98500200  0.78722700  0.88980300  1
  O  O9  1  0.90527400  0.36934800  0.07340500  1
  O  O10  1  0.79795600  0.97984600  0.41212500  1
  O  O11  1  0.63606900  0.63603800  0.81341500  1
  O  O12  1  0.63065200  0.09472600  0.92659500  1
  O  O13  1  0.64817900  0.63754600  0.30887300  1
  O  O14  1  0.36396200  0.36393100  0.18658500  1
  O  O15  1  0.36258200  0.90252100  0.57730600  1
  O  O16  1  0.36245400  0.35182100  0.69112700  1
  O  O17  1  0.21277300  0.01499800  0.11019700  1
  O  O18  1  0.09747900  0.63741800  0.42269400  1
  O  O19  1  0.02015400  0.20204400  0.58787500  1
