# generated using pymatgen
data_LiMnCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61047892
_cell_length_b   6.61047892
_cell_length_c   5.98262370
_cell_angle_alpha   76.91334209
_cell_angle_beta   76.91334209
_cell_angle_gamma   25.64192475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCr2O6
_chemical_formula_sum   'Li1 Mn1 Cr2 O6'
_cell_volume   110.04068543
_cell_formula_units_Z   1
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  0.33402300  0.33402300  0.83551500  1
  Mn  Mn1  1  0.66299200  0.66299200  0.65476400  1
  Cr  Cr2  1  0.33248700  0.33248700  0.33156400  1
  Cr  Cr3  1  0.00765200  0.00765200  0.01336700  1
  O  O4  1  0.17241900  0.17241900  0.44134600  1
  O  O5  1  0.85006700  0.85006700  0.09230600  1
  O  O6  1  0.16265200  0.16265200  0.87485900  1
  O  O7  1  0.81716000  0.81716000  0.57009800  1
  O  O8  1  0.49300600  0.49300600  0.22203700  1
  O  O9  1  0.50902800  0.50902800  0.78783500  1
