# generated using pymatgen
data_Li2Cr3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36434208
_cell_length_b   5.36450497
_cell_length_c   8.81222446
_cell_angle_alpha   99.70016067
_cell_angle_beta   80.30038345
_cell_angle_gamma   63.48729992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr3O6
_chemical_formula_sum   'Li4 Cr6 O12'
_cell_volume   214.97018674
_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  0.16973700  0.83025400  0.66056900  1
  Li  Li1  1  0.83031300  0.16969400  0.33934400  1
  Li  Li2  1  0.58026700  0.91974000  0.83943100  1
  Li  Li3  1  0.91969700  0.58030500  0.16065400  1
  Cr  Cr4  1  0.00001000  0.99991100  0.99989300  1
  Cr  Cr5  1  0.08518300  0.41480300  0.82960400  1
  Cr  Cr6  1  0.41477700  0.08520700  0.17041300  1
  Cr  Cr7  1  0.33521900  0.66480000  0.32959700  1
  Cr  Cr8  1  0.66480700  0.33520400  0.67038200  1
  Cr  Cr9  1  0.74998000  0.75010500  0.50011700  1
  O  O10  1  0.21794900  0.21792300  0.99993300  1
  O  O11  1  0.09950900  0.45766600  0.33219600  1
  O  O12  1  0.18168400  0.87540300  0.16781800  1
  O  O13  1  0.45755500  0.09961800  0.66791600  1
  O  O14  1  0.29244500  0.65038300  0.83208200  1
  O  O15  1  0.65048700  0.29233600  0.16780700  1
  O  O16  1  0.53205400  0.53206400  0.50006800  1
  O  O17  1  0.56832200  0.87459300  0.33218000  1
  O  O18  1  0.78202800  0.78190200  0.99993200  1
  O  O19  1  0.87541000  0.18167000  0.83206400  1
  O  O20  1  0.87459300  0.56833000  0.66793300  1
  O  O21  1  0.96797400  0.96809000  0.50006500  1
