# generated using pymatgen
data_Li2Mn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79735414
_cell_length_b   5.79735414
_cell_length_c   9.58291200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn3NiO8
_chemical_formula_sum   'Li4 Mn6 Ni2 O16'
_cell_volume   278.92522117
_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  0.33333300  0.66666700  0.88585200  1
  Li  Li1  1  0.00000000  0.00000000  0.99888400  1
  Li  Li2  1  0.00000000  0.00000000  0.49888400  1
  Li  Li3  1  0.66666700  0.33333300  0.38585200  1
  Mn  Mn4  1  0.16868500  0.83131500  0.21520800  1
  Mn  Mn5  1  0.16868500  0.33736900  0.21520800  1
  Mn  Mn6  1  0.66263100  0.83131500  0.21520800  1
  Mn  Mn7  1  0.33736900  0.16868500  0.71520800  1
  Mn  Mn8  1  0.83131500  0.66263100  0.71520800  1
  Mn  Mn9  1  0.83131500  0.16868500  0.71520800  1
  Ni  Ni10  1  0.33333300  0.66666700  0.48925400  1
  Ni  Ni11  1  0.66666700  0.33333300  0.98925400  1
  O  O12  1  0.15848900  0.84151100  0.60706400  1
  O  O13  1  0.03509800  0.51754900  0.33072800  1
  O  O14  1  0.33333300  0.66666700  0.10884800  1
  O  O15  1  0.00000000  0.00000000  0.31209100  1
  O  O16  1  0.00000000  0.00000000  0.81209100  1
  O  O17  1  0.15848900  0.31697800  0.60706400  1
  O  O18  1  0.48245100  0.96490200  0.33072800  1
  O  O19  1  0.48245100  0.51754900  0.33072800  1
  O  O20  1  0.31697800  0.15848900  0.10706400  1
  O  O21  1  0.68302200  0.84151100  0.60706400  1
  O  O22  1  0.51754900  0.48245100  0.83072800  1
  O  O23  1  0.51754900  0.03509800  0.83072800  1
  O  O24  1  0.66666700  0.33333300  0.60884800  1
  O  O25  1  0.84151100  0.68302200  0.10706400  1
  O  O26  1  0.96490200  0.48245100  0.83072800  1
  O  O27  1  0.84151100  0.15848900  0.10706400  1
