# generated using pymatgen
data_Li2Mn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81422906
_cell_length_b   5.81422906
_cell_length_c   5.93003487
_cell_angle_alpha   61.08891700
_cell_angle_beta   61.08891700
_cell_angle_gamma   60.16810259
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn3NiO8
_chemical_formula_sum   'Li2 Mn3 Ni1 O8'
_cell_volume   144.22747172
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn2  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn3  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn4  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  O  O6  1  0.71694400  0.24440400  0.78691500  1
  O  O7  1  0.24440400  0.71694400  0.78691500  1
  O  O8  1  0.24553900  0.24553900  0.79413800  1
  O  O9  1  0.73616500  0.73616500  0.79389600  1
  O  O10  1  0.26383500  0.26383500  0.20610400  1
  O  O11  1  0.75446100  0.75446100  0.20586200  1
  O  O12  1  0.75559600  0.28305600  0.21308500  1
  O  O13  1  0.28305600  0.75559600  0.21308500  1
