data_[Li6Mn6Ni2O16]
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 [10.4457]
_cell_length_b [5.7898]
_cell_length_c [5.8103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn3NiO8]
_chemical_formula_sum '[Li6 Mn6 Ni2 O16]'
_cell_volume [293.9627]
_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  4  0.2500  0.2500  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.2500  0.2500  0.5000  1.0
  Mn  Mn3  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni4  2  0.0000  0.0000  0.5000  1.0
  O  O5  8  0.0281  0.2578  0.2966  1.0
  O  O6  4  0.2410  0.0000  0.2611  1.0
  O  O7  4  0.2411  0.0000  0.7193  1.0
]