# generated using pymatgen
data_LiMn3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07270434
_cell_length_b   5.07270434
_cell_length_c   5.31351340
_cell_angle_alpha   79.80065318
_cell_angle_beta   79.80065318
_cell_angle_gamma   117.81964972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3O6
_chemical_formula_sum   'Li1 Mn3 O6'
_cell_volume   113.59415499
_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  0.50000000  0.50000000  0.50000000  1
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn2  1  0.66604000  0.33396000  0.00000000  1
  Mn  Mn3  1  0.33396000  0.66604000  0.00000000  1
  O  O4  1  0.69720300  0.69720300  0.78251600  1
  O  O5  1  0.92201700  0.59324600  0.19239700  1
  O  O6  1  0.59324600  0.92201700  0.19239700  1
  O  O7  1  0.40675400  0.07798300  0.80760300  1
  O  O8  1  0.07798300  0.40675400  0.80760300  1
  O  O9  1  0.30279700  0.30279700  0.21748400  1
