# generated using pymatgen
data_Li5Cu5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00729400
_cell_length_b   5.00729400
_cell_length_c   9.49574157
_cell_angle_alpha   88.17441226
_cell_angle_beta   88.17441226
_cell_angle_gamma   114.68553825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Cu5(NiO6)2
_chemical_formula_sum   'Li5 Cu5 Ni2 O12'
_cell_volume   215.95146258
_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  0.84063800  0.66472300  0.25790200  1
  Li  Li1  1  0.66822900  0.84751000  0.74416600  1
  Li  Li2  1  0.33527700  0.15936200  0.74209800  1
  Li  Li3  1  0.15249000  0.33177100  0.25583400  1
  Li  Li4  1  0.08206000  0.91794000  0.50000000  1
  Cu  Cu5  1  0.92009000  0.07991000  0.00000000  1
  Cu  Cu6  1  0.00282500  0.50761000  0.74785100  1
  Cu  Cu7  1  0.49239000  0.99717500  0.25214900  1
  Cu  Cu8  1  0.58132900  0.41867100  0.00000000  1
  Cu  Cu9  1  0.41660000  0.58340000  0.50000000  1
  Ni  Ni10  1  0.75252000  0.24748000  0.50000000  1
  Ni  Ni11  1  0.25125100  0.74874900  0.00000000  1
  O  O12  1  0.00601700  0.20598700  0.63181600  1
  O  O13  1  0.79401300  0.99398300  0.36818400  1
  O  O14  1  0.92370600  0.42210000  0.09559200  1
  O  O15  1  0.57790000  0.07629400  0.90440800  1
  O  O16  1  0.69465200  0.51217700  0.62258000  1
  O  O17  1  0.48782300  0.30534800  0.37742000  1
  O  O18  1  0.50248500  0.68699200  0.12684400  1
  O  O19  1  0.31300800  0.49751500  0.87315600  1
  O  O20  1  0.43239200  0.92003200  0.59733100  1
  O  O21  1  0.07996800  0.56760800  0.40266900  1
  O  O22  1  0.18966100  0.99732800  0.12911100  1
  O  O23  1  0.00267200  0.81033900  0.87088900  1
