# generated using pymatgen
data_LiMn2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91593800
_cell_length_b   5.89590065
_cell_length_c   6.55554331
_cell_angle_alpha   105.18597474
_cell_angle_beta   102.49291651
_cell_angle_gamma   88.49396978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2NiO6
_chemical_formula_sum   'Li1 Mn2 Ni1 O6'
_cell_volume   106.13735086
_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  0.17775000  0.32085600  0.83718600  1
  Mn  Mn2  1  0.82225000  0.67914400  0.16281400  1
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1
  O  O4  1  0.94564500  0.75834900  0.46921100  1
  O  O5  1  0.32664300  0.45473400  0.15164300  1
  O  O6  1  0.05435500  0.24165100  0.53078900  1
  O  O7  1  0.32446900  0.89650500  0.18861500  1
  O  O8  1  0.67335700  0.54526600  0.84835700  1
  O  O9  1  0.67553100  0.10349500  0.81138500  1
