# generated using pymatgen
data_Ba2LiMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81777792
_cell_length_b   5.81424743
_cell_length_c   5.26608000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.91270283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiMn2O6
_chemical_formula_sum   'Ba2 Li1 Mn2 O6'
_cell_volume   152.82718039
_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  0.67095000  0.32843700  0.25000000  1
  Ba  Ba1  1  0.31494200  0.68469700  0.75000000  1
  Li  Li2  1  0.34855100  0.65160400  0.25000000  1
  Mn  Mn3  1  0.99807700  0.00182100  0.50494000  1
  Mn  Mn4  1  0.99807700  0.00182100  0.99506000  1
  O  O5  1  0.84127400  0.71126100  0.75000000  1
  O  O6  1  0.17105300  0.82993400  0.25000000  1
  O  O7  1  0.70629600  0.83898000  0.25000000  1
  O  O8  1  0.28919500  0.16040400  0.75000000  1
  O  O9  1  0.16030500  0.29353700  0.25000000  1
  O  O10  1  0.83461300  0.16417000  0.75000000  1
