data_[Li4Mg2Ni6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  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 [9.8449]
_cell_length_b [5.6783]
_cell_length_c [5.8572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2MgNi3O8]
_chemical_formula_sum '[Li4 Mg2 Ni6 O16]'
_cell_volume [271.4173]
_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  0.0000  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  4  0.2500  0.2500  0.0000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  O  O5  8  0.0208  0.2641  0.7897  1.0
  O  O6  4  0.2334  0.5000  0.1954  1.0
  O  O7  4  0.2472  0.0000  0.2059  1.0
]