data_[Li8Co3Ni1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3302]
_cell_length_b [5.3788]
_cell_length_c [7.0204]
_cell_angle_alpha [90.1474]
_cell_angle_beta [90.1702]
_cell_angle_gamma [89.9986]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li8Co3NiO8]
_chemical_formula_sum '[Li8 Co3 Ni1 O8]'
_cell_volume [201.2724]
_cell_formula_units_Z [1]
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  1  0.1845  0.4490  0.9054  1
  Li  Li1  1  0.1898  0.9673  0.5939  1
  Li  Li2  1  0.3420  0.2190  0.2413  1
  Li  Li3  1  0.3476  0.7167  0.2576  1
  Li  Li4  1  0.6819  0.0515  0.4056  1
  Li  Li5  1  0.6862  0.5333  0.0918  1
  Li  Li6  1  0.8442  0.2777  0.7419  1
  Li  Li7  1  0.8502  0.7837  0.7517  1
  Co  Co8  1  0.4498  0.5504  0.6122  1
  Co  Co9  1  0.9470  0.9487  0.1126  1
  Co  Co10  1  0.9490  0.4535  0.3885  1
  Ni  Ni11  1  0.4514  0.0412  0.8909  1
  O  O12  1  0.0476  0.0929  0.3632  1
  O  O13  1  0.0498  0.5894  0.1364  1
  O  O14  1  0.0689  0.5572  0.6394  1
  O  O15  1  0.0713  0.0605  0.8633  1
  O  O16  1  0.5477  0.4041  0.8602  1
  O  O17  1  0.5497  0.9113  0.6340  1
  O  O18  1  0.5668  0.9431  0.1439  1
  O  O19  1  0.5684  0.4400  0.3604  1
]