# generated using pymatgen
data_Li4Mn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88853328
_cell_length_b   5.88853328
_cell_length_c   5.99557458
_cell_angle_alpha   59.67736777
_cell_angle_beta   59.67736777
_cell_angle_gamma   61.00513724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3NiO8
_chemical_formula_sum   'Li4 Mn3 Ni1 O8'
_cell_volume   147.35076673
_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  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.00000000  0.00000000  0.00000000  1
  Li  Li3  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn4  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn5  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn6  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.00000000  0.00000000  0.50000000  1
  O  O8  1  0.26394200  0.26394200  0.71716700  1
  O  O9  1  0.27738700  0.74417600  0.25905600  1
  O  O10  1  0.75037800  0.75037800  0.78733300  1
  O  O11  1  0.74417600  0.27738700  0.25905600  1
  O  O12  1  0.25582400  0.72261300  0.74094400  1
  O  O13  1  0.24962200  0.24962200  0.21266700  1
  O  O14  1  0.72261300  0.25582400  0.74094400  1
  O  O15  1  0.73605800  0.73605800  0.28283300  1
