data_[Li8Ni2Se2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0145]
_cell_length_b [8.6448]
_cell_length_c [4.9924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4NiSeO6]
_chemical_formula_sum '[Li8 Ni2 Se2 O12]'
_cell_volume [203.0179]
_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  0.3369  0.5000  1
  Li  Li1  2  0.0000  0.5002  0.0000  1
  Li  Li2  2  0.0000  0.6659  0.5000  1
  Li  Li3  2  0.0000  0.9962  0.5000  1
  Ni  Ni4  2  0.0000  0.1665  0.0000  1
  Se  Se5  2  0.0000  0.8328  0.0000  1
  O  O6  4  0.2219  0.9849  0.2302  1
  O  O7  4  0.2238  0.8311  0.7805  1
  O  O8  4  0.2304  0.6847  0.2300  1
]