data_[Li8Nb2Co6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9981]
_cell_length_b [6.0373]
_cell_length_c [10.3944]
_cell_angle_alpha [73.6677]
_cell_angle_beta [73.2973]
_cell_angle_gamma [60.2640]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4NbCo3O8]
_chemical_formula_sum '[Li8 Nb2 Co6 O16]'
_cell_volume [308.6680]
_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  0.2460  0.7507  0.2532  1
  Li  Li1  2  0.2483  0.2469  0.2493  1
  Li  Li2  1  0.0000  0.0000  0.5000  1
  Li  Li3  1  0.0000  0.5000  0.5000  1
  Li  Li4  1  0.5000  0.0000  0.0000  1
  Li  Li5  1  0.5000  0.5000  0.0000  1
  Nb  Nb6  1  0.0000  0.0000  0.0000  1
  Nb  Nb7  1  0.5000  0.5000  0.5000  1
  Co  Co8  2  0.2510  0.2505  0.7502  1
  Co  Co9  2  0.2531  0.7476  0.7507  1
  Co  Co10  1  0.0000  0.5000  0.0000  1
  Co  Co11  1  0.5000  0.0000  0.5000  1
  O  O12  2  0.1188  0.6311  0.1122  1
  O  O13  2  0.1275  0.1009  0.1226  1
  O  O14  2  0.1423  0.6185  0.6199  1
  O  O15  2  0.1719  0.1056  0.6211  1
  O  O16  2  0.3262  0.4018  0.8783  1
  O  O17  2  0.3576  0.8836  0.8800  1
  O  O18  2  0.3745  0.3814  0.3816  1
  O  O19  2  0.3755  0.8566  0.3821  1
]