data_[Li8Ni2Bi2O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1468]
_cell_length_b [9.0537]
_cell_length_c [5.1273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4NiBiO6]
_chemical_formula_sum '[Li8 Ni2 Bi2 O12]'
_cell_volume [226.3509]
_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  0.0148  0.5000  1
  Li  Li1  2  0.0000  0.3363  0.5000  1
  Li  Li2  2  0.0000  0.5003  0.0000  1
  Li  Li3  2  0.0000  0.6533  0.5000  1
  Ni  Ni4  2  0.0000  0.1677  0.0000  1
  Bi  Bi5  2  0.0000  0.8375  0.0000  1
  O  O6  4  0.2267  0.1686  0.7748  1
  O  O7  4  0.2378  0.0058  0.2453  1
  O  O8  4  0.2454  0.3206  0.2454  1
]