# generated using pymatgen
data_Li2CrNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84814813
_cell_length_b   5.84814813
_cell_length_c   5.84814813
_cell_angle_alpha   120.21645757
_cell_angle_beta   119.99762575
_cell_angle_gamma   89.81480300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrNiO4
_chemical_formula_sum   'Li4 Cr2 Ni2 O8'
_cell_volume   141.19926007
_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  0.00000000  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.00000000  0.00000000  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr4  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr5  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni7  1  0.50000000  0.00000000  0.00000000  1
  O  O8  1  0.74663500  0.76247100  0.98416400  1
  O  O9  1  0.75086300  0.23201400  0.98115100  1
  O  O10  1  0.27830600  0.76247100  0.51583600  1
  O  O11  1  0.75086300  0.76971200  0.51884900  1
  O  O12  1  0.24913700  0.23028800  0.48115100  1
  O  O13  1  0.72169400  0.23752900  0.48416400  1
  O  O14  1  0.24913700  0.76798600  0.01884900  1
  O  O15  1  0.25336500  0.23752900  0.01583600  1
