# generated using pymatgen
data_Li3Cr2(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82340763
_cell_length_b   5.82340763
_cell_length_c   5.83980502
_cell_angle_alpha   60.65392491
_cell_angle_beta   60.65392491
_cell_angle_gamma   60.95581887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr2(NiO4)2
_chemical_formula_sum   'Li3 Cr2 Ni2 O8'
_cell_volume   142.41678829
_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  0.00000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr3  1  0.50000000  0.00000000  0.00000000  1
  Cr  Cr4  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1
  O  O7  1  0.76977700  0.21212300  0.77342400  1
  O  O8  1  0.23022700  0.23022700  0.78329800  1
  O  O9  1  0.21212300  0.76977700  0.77342400  1
  O  O10  1  0.25137300  0.25137300  0.22963800  1
  O  O11  1  0.74862700  0.74862700  0.77036200  1
  O  O12  1  0.78787700  0.23022300  0.22657600  1
  O  O13  1  0.76977300  0.76977300  0.21670200  1
  O  O14  1  0.23022300  0.78787700  0.22657600  1
