data_[Li5Co1Ni9O20]
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 [2.8622]
_cell_length_b [11.3345]
_cell_length_c [11.7469]
_cell_angle_alpha [64.6206]
_cell_angle_beta [89.1455]
_cell_angle_gamma [82.8208]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5CoNi9O20]
_chemical_formula_sum '[Li5 Co1 Ni9 O20]'
_cell_volume [341.2923]
_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  0.0162  0.0014  0.7481  1
  Li  Li1  1  0.1985  0.6111  0.1366  1
  Li  Li2  1  0.2058  0.5974  0.6525  1
  Li  Li3  1  0.7988  0.3875  0.3646  1
  Li  Li4  1  0.9741  0.0009  0.2494  1
  Co  Co5  1  0.3830  0.2016  0.2983  1
  Ni  Ni6  1  0.1884  0.6017  0.4005  1
  Ni  Ni7  1  0.2038  0.5994  0.8987  1
  Ni  Ni8  1  0.4306  0.2037  0.8023  1
  Ni  Ni9  1  0.5630  0.7991  0.1998  1
  Ni  Ni10  1  0.6014  0.7991  0.7000  1
  Ni  Ni11  1  0.8077  0.3980  0.0988  1
  Ni  Ni12  1  0.8247  0.3969  0.5999  1
  Ni  Ni13  1  0.9954  0.0007  0.4999  1
  Ni  Ni14  1  0.9997  0.0012  0.0001  1
  O  O15  1  0.0618  0.7917  0.3081  1
  O  O16  1  0.0652  0.8082  0.0914  1
  O  O17  1  0.0993  0.7907  0.8086  1
  O  O18  1  0.1058  0.8065  0.5923  1
  O  O19  1  0.2972  0.4132  0.4786  1
  O  O20  1  0.3041  0.3871  0.2184  1
  O  O21  1  0.3084  0.4122  0.9873  1
  O  O22  1  0.3423  0.3886  0.7131  1
  O  O23  1  0.4513  0.0198  0.3750  1
  O  O24  1  0.4601  0.9822  0.1246  1
  O  O25  1  0.5370  0.9838  0.6229  1
  O  O26  1  0.5416  0.0202  0.8768  1
  O  O27  1  0.6378  0.6128  0.2768  1
  O  O28  1  0.6621  0.6158  0.7760  1
  O  O29  1  0.7419  0.5818  0.5246  1
  O  O30  1  0.7495  0.5815  0.0237  1
  O  O31  1  0.8772  0.1947  0.4061  1
  O  O32  1  0.8855  0.2106  0.1886  1
  O  O33  1  0.9309  0.2104  0.6931  1
  O  O34  1  0.9317  0.1911  0.9112  1
]