data_[Li8Mn12Ni4O32]
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 [P2_13]
_cell_length_a [8.2926]
_cell_length_b [8.2926]
_cell_length_c [8.2926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Li2Mn3NiO8]
_chemical_formula_sum '[Li8 Mn12 Ni4 O32]'
_cell_volume [570.2488]
_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  4  0.1252  0.8748  0.3748  1
  Li  Li1  4  0.2473  0.2473  0.2473  1
  Mn  Mn2  12  0.1237  0.3754  0.8720  1
  Ni  Ni3  4  0.0019  0.0019  0.0019  1
  O  O4  12  0.1022  0.8933  0.6266  1
  O  O5  12  0.1254  0.1474  0.8634  1
  O  O6  4  0.1138  0.6138  0.8862  1
  O  O7  4  0.1400  0.3600  0.6400  1
]