data_[Li12Mn8Ni4O24]
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/m]
_cell_length_a [12.6627]
_cell_length_b [2.9920]
_cell_length_c [11.9794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn2NiO6]
_chemical_formula_sum '[Li12 Mn8 Ni4 O24]'
_cell_volume [440.6060]
_cell_formula_units_Z [4]
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  8  0.1630  0.0000  0.4157  1
  Li  Li1  4  0.0003  0.5000  0.2496  1
  Mn  Mn2  8  0.1638  0.0000  0.1642  1
  Ni  Ni3  4  0.0000  0.5000  0.0000  1
  O  O4  8  0.0094  0.0000  0.1254  1
  O  O5  8  0.1691  0.5000  0.0529  1
  O  O6  8  0.1736  0.5000  0.2890  1
]