data_[Li8Mn2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.8815]
_cell_length_b [8.4498]
_cell_length_c [4.9663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4MnNiO6]
_chemical_formula_sum '[Li8 Mn2 Ni2 O12]'
_cell_volume [193.2676]
_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  2  0.0000  0.0083  0.5000  1
  Li  Li1  2  0.0000  0.3364  0.5000  1
  Li  Li2  2  0.0000  0.4998  0.0000  1
  Li  Li3  2  0.0000  0.6579  0.5000  1
  Mn  Mn4  2  0.0000  0.8330  0.0000  1
  Ni  Ni5  2  0.0000  0.1668  0.0000  1
  O  O6  4  0.2204  0.0024  0.2281  1
  O  O7  4  0.2425  0.1767  0.7765  1
  O  O8  4  0.2499  0.3198  0.2259  1
]