# generated using pymatgen
data_Ba2LiMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24510184
_cell_length_b   5.64433747
_cell_length_c   5.25809243
_cell_angle_alpha   90.14061303
_cell_angle_beta   74.55834042
_cell_angle_gamma   116.96833983
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiMn2O6
_chemical_formula_sum   'Ba2 Li1 Mn2 O6'
_cell_volume   157.71027489
_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
  Ba  Ba0  1  0.61346800  0.30670300  0.19225300  1
  Ba  Ba1  1  0.38662100  0.69336800  0.80780900  1
  Li  Li2  1  0.00004800  0.49999700  0.50002300  1
  Mn  Mn3  1  0.99986300  0.99991800  0.50001200  1
  Mn  Mn4  1  0.99977100  0.99996800  0.00012300  1
  O  O5  1  0.84636100  0.68725100  0.76731000  1
  O  O6  1  0.15398500  0.83971200  0.23393900  1
  O  O7  1  0.72697900  0.86298000  0.32482800  1
  O  O8  1  0.27311000  0.13707700  0.67507100  1
  O  O9  1  0.15371200  0.31275100  0.23263200  1
  O  O10  1  0.84608100  0.16027300  0.76599900  1
