# generated using pymatgen
data_Li2Mn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91059965
_cell_length_b   5.91059965
_cell_length_c   5.82852705
_cell_angle_alpha   60.45829656
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.91659312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn3NiO8
_chemical_formula_sum   'Li2 Mn3 Ni1 O8'
_cell_volume   142.95781811
_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  0.11978100  0.26043900  0.11978100  1
  Li  Li1  1  0.88021900  0.73956100  0.88021900  1
  Mn  Mn2  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn3  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn4  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1
  O  O6  1  0.74649000  0.46312800  0.29038200  1
  O  O7  1  0.73698300  0.02603400  0.73698300  1
  O  O8  1  0.29038200  0.00702200  0.74649000  1
  O  O9  1  0.74649000  0.46312800  0.74649000  1
  O  O10  1  0.25351000  0.53687200  0.25351000  1
  O  O11  1  0.70961800  0.99297800  0.25351000  1
  O  O12  1  0.26301700  0.97396600  0.26301700  1
  O  O13  1  0.25351000  0.53687200  0.70961800  1
