# generated using pymatgen
data_Li3Cr2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61118722
_cell_length_b   6.61118722
_cell_length_c   5.89687377
_cell_angle_alpha   77.09764493
_cell_angle_beta   77.09764493
_cell_angle_gamma   25.73740650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr2NiO6
_chemical_formula_sum   'Li3 Cr2 Ni1 O6'
_cell_volume   108.94729613
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.66402300  0.66402300  0.66457400  1
  Li  Li2  1  0.33597700  0.33597700  0.33542600  1
  Cr  Cr3  1  0.66574300  0.66574300  0.17279800  1
  Cr  Cr4  1  0.33425700  0.33425700  0.82720200  1
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1
  O  O6  1  0.16689200  0.16689200  0.40006600  1
  O  O7  1  0.82690000  0.82690000  0.06521100  1
  O  O8  1  0.83310800  0.83310800  0.59993400  1
  O  O9  1  0.49174500  0.49174500  0.74414100  1
  O  O10  1  0.50825500  0.50825500  0.25585900  1
  O  O11  1  0.17310000  0.17310000  0.93478900  1
