# generated using pymatgen
data_Li2MnCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07241722
_cell_length_b   5.07241722
_cell_length_c   10.14641000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62509264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnCr2O6
_chemical_formula_sum   'Li4 Mn2 Cr4 O12'
_cell_volume   226.93490180
_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  0.65389100  0.15389100  0.75000000  1
  Li  Li1  1  0.84610900  0.34610900  0.25000000  1
  Li  Li2  1  0.15389100  0.65389100  0.75000000  1
  Li  Li3  1  0.34610900  0.84610900  0.25000000  1
  Mn  Mn4  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn5  1  0.50000000  0.50000000  0.50000000  1
  Cr  Cr6  1  0.83633700  0.16366300  0.50000000  1
  Cr  Cr7  1  0.66366300  0.33633700  0.00000000  1
  Cr  Cr8  1  0.33633700  0.66366300  0.00000000  1
  Cr  Cr9  1  0.16366300  0.83633700  0.50000000  1
  O  O10  1  0.67482100  0.00532800  0.10557700  1
  O  O11  1  0.32517900  0.99467200  0.89442300  1
  O  O12  1  0.50532800  0.17482100  0.39442300  1
  O  O13  1  0.82517900  0.49467200  0.60557700  1
  O  O14  1  0.18190000  0.18190000  0.59990800  1
  O  O15  1  0.31810000  0.31810000  0.09990800  1
  O  O16  1  0.68190000  0.68190000  0.90009200  1
  O  O17  1  0.99467200  0.32517900  0.89442300  1
  O  O18  1  0.81810000  0.81810000  0.40009200  1
  O  O19  1  0.17482100  0.50532800  0.39442300  1
  O  O20  1  0.49467200  0.82517900  0.60557700  1
  O  O21  1  0.00532800  0.67482100  0.10557700  1
