data_[Li6Mn6Ni3O18]
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 [P-1]
_cell_length_a [6.5952]
_cell_length_b [6.6450]
_cell_length_c [8.3377]
_cell_angle_alpha [70.0375]
_cell_angle_beta [70.8007]
_cell_angle_gamma [82.8527]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Mn2NiO6]
_chemical_formula_sum '[Li6 Mn6 Ni3 O18]'
_cell_volume [324.3164]
_cell_formula_units_Z [3]
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  0.0001  0.3351  0.1650  1
  Li  Li1  2  0.3200  0.0002  0.1675  1
  Li  Li2  2  0.3206  0.6636  0.5041  1
  Mn  Mn3  2  0.3254  0.3349  0.3352  1
  Mn  Mn4  2  0.3272  0.0029  0.6691  1
  Mn  Mn5  2  0.3309  0.6653  0.0013  1
  Ni  Ni6  2  0.0036  0.3303  0.6677  1
  Ni  Ni7  1  0.0000  0.0000  0.0000  1
  O  O8  2  0.0263  0.3449  0.4093  1
  O  O9  2  0.0273  0.0035  0.7524  1
  O  O10  2  0.0361  0.6685  0.0737  1
  O  O11  2  0.3294  0.6449  0.2394  1
  O  O12  2  0.3390  0.3139  0.5656  1
  O  O13  2  0.3413  0.9708  0.9069  1
  O  O14  2  0.3475  0.3510  0.0939  1
  O  O15  2  0.3501  0.6929  0.7526  1
  O  O16  2  0.3542  0.0180  0.4216  1
]