# generated using pymatgen
data_Li2MnCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84934811
_cell_length_b   7.84934811
_cell_length_c   5.97567849
_cell_angle_alpha   78.59386377
_cell_angle_beta   78.59386377
_cell_angle_gamma   68.71879601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnCr2O6
_chemical_formula_sum   'Li6 Mn3 Cr6 O18'
_cell_volume   333.07948106
_cell_formula_units_Z   3
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  0.49832100  0.16552500  0.83141800  1
  Li  Li1  1  0.16552500  0.49832100  0.83141800  1
  Li  Li2  1  0.50167900  0.83447500  0.16858200  1
  Li  Li3  1  0.83447500  0.50167900  0.16858200  1
  Li  Li4  1  0.16824800  0.83175200  0.50000000  1
  Li  Li5  1  0.83175200  0.16824800  0.50000000  1
  Mn  Mn6  1  0.16529700  0.83470300  0.00000000  1
  Mn  Mn7  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn8  1  0.83470300  0.16529700  0.00000000  1
  Cr  Cr9  1  0.49628600  0.16781100  0.33349700  1
  Cr  Cr10  1  0.83379400  0.83379400  0.33296100  1
  Cr  Cr11  1  0.16781100  0.49628600  0.33349700  1
  Cr  Cr12  1  0.50371400  0.83218900  0.66650300  1
  Cr  Cr13  1  0.83218900  0.50371400  0.66650300  1
  Cr  Cr14  1  0.16620600  0.16620600  0.66703900  1
  O  O15  1  0.99323900  0.99323900  0.22455800  1
  O  O16  1  0.65707700  0.00028900  0.56046200  1
  O  O17  1  0.00028900  0.65707700  0.56046200  1
  O  O18  1  0.00676100  0.00676100  0.77544200  1
  O  O19  1  0.67387700  0.01605300  0.09761300  1
  O  O20  1  0.01605300  0.67387700  0.09761300  1
  O  O21  1  0.34292300  0.99971100  0.43953800  1
  O  O22  1  0.67713500  0.67713500  0.42932800  1
  O  O23  1  0.99971100  0.34292300  0.43953800  1
  O  O24  1  0.32612300  0.98394700  0.90238700  1
  O  O25  1  0.65189400  0.65189400  0.91223400  1
  O  O26  1  0.98394700  0.32612300  0.90238700  1
  O  O27  1  0.32597200  0.66602500  0.21838000  1
  O  O28  1  0.66602500  0.32597200  0.21838000  1
  O  O29  1  0.32286500  0.32286500  0.57067200  1
  O  O30  1  0.33397500  0.67402800  0.78162000  1
  O  O31  1  0.67402800  0.33397500  0.78162000  1
  O  O32  1  0.34810600  0.34810600  0.08776600  1
