# generated using pymatgen
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78404533
_cell_length_b   5.78404533
_cell_length_c   9.37658000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2O4
_chemical_formula_sum   'Li4 Cr8 O16'
_cell_volume   271.66801184
_cell_formula_units_Z   4
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  0.33333300  0.66666700  0.89466300  1
  Li  Li1  1  0.00000000  0.00000000  0.99697200  1
  Li  Li2  1  0.00000000  0.00000000  0.49697200  1
  Li  Li3  1  0.66666700  0.33333300  0.39466300  1
  Cr  Cr4  1  0.17071000  0.82929000  0.21179300  1
  Cr  Cr5  1  0.33333300  0.66666700  0.48675900  1
  Cr  Cr6  1  0.17071000  0.34142000  0.21179300  1
  Cr  Cr7  1  0.65858000  0.82929000  0.21179300  1
  Cr  Cr8  1  0.34142000  0.17071000  0.71179300  1
  Cr  Cr9  1  0.66666700  0.33333300  0.98675900  1
  Cr  Cr10  1  0.82929000  0.65858000  0.71179300  1
  Cr  Cr11  1  0.82929000  0.17071000  0.71179300  1
  O  O12  1  0.16859200  0.83140800  0.60318000  1
  O  O13  1  0.04305700  0.52152900  0.34163800  1
  O  O14  1  0.33333300  0.66666700  0.10087900  1
  O  O15  1  0.00000000  0.00000000  0.30824500  1
  O  O16  1  0.00000000  0.00000000  0.80824500  1
  O  O17  1  0.16859200  0.33718400  0.60318000  1
  O  O18  1  0.47847100  0.95694300  0.34163800  1
  O  O19  1  0.47847100  0.52152900  0.34163800  1
  O  O20  1  0.33718400  0.16859200  0.10318000  1
  O  O21  1  0.66281600  0.83140800  0.60318000  1
  O  O22  1  0.52152900  0.47847100  0.84163800  1
  O  O23  1  0.52152900  0.04305700  0.84163800  1
  O  O24  1  0.66666700  0.33333300  0.60087900  1
  O  O25  1  0.83140800  0.66281600  0.10318000  1
  O  O26  1  0.95694300  0.47847100  0.84163800  1
  O  O27  1  0.83140800  0.16859200  0.10318000  1
