# generated using pymatgen
data_LiCrNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84512722
_cell_length_b   5.84512722
_cell_length_c   5.84512722
_cell_angle_alpha   120.40083656
_cell_angle_beta   119.46920038
_cell_angle_gamma   90.11447805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrNiO4
_chemical_formula_sum   'Li2 Cr2 Ni2 O8'
_cell_volume   141.33721345
_cell_formula_units_Z   2
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  0.62935200  0.87935200  0.75000000  1
  Li  Li1  1  0.37064800  0.12064800  0.25000000  1
  Cr  Cr2  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr3  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni4  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1
  O  O6  1  0.76154800  0.28832200  0.02677400  1
  O  O7  1  0.76931800  0.73820600  0.03111200  1
  O  O8  1  0.20709400  0.73820600  0.46888800  1
  O  O9  1  0.76154800  0.73477400  0.47322600  1
  O  O10  1  0.23845200  0.26522600  0.52677400  1
  O  O11  1  0.23068200  0.26179400  0.96888800  1
  O  O12  1  0.79290600  0.26179400  0.53111200  1
  O  O13  1  0.23845200  0.71167800  0.97322600  1
