data_[Li10Cr3Fe3Ni2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9404]
_cell_length_b [5.9563]
_cell_length_c [9.8335]
_cell_angle_alpha [90.2660]
_cell_angle_beta [90.0461]
_cell_angle_gamma [119.6858]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li10Cr3Fe3(NiO8)2]
_chemical_formula_sum '[Li10 Cr3 Fe3 Ni2 O16]'
_cell_volume [302.2615]
_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  0.1827  0.7910  0.4397  1
  Li  Li1  1  0.1900  0.3853  0.4446  1
  Li  Li2  1  0.3197  0.6504  0.2189  1
  Li  Li3  1  0.3769  0.1844  0.9407  1
  Li  Li4  1  0.5978  0.7907  0.4405  1
  Li  Li5  1  0.6514  0.3188  0.7189  1
  Li  Li6  1  0.7918  0.5955  0.9393  1
  Li  Li7  1  0.7938  0.1813  0.9408  1
  Li  Li8  1  0.9838  0.9812  0.0169  1
  Li  Li9  1  0.9871  0.9910  0.5155  1
  Cr  Cr10  1  0.6484  0.8182  0.7138  1
  Cr  Cr11  1  0.8174  0.6462  0.2140  1
  Cr  Cr12  1  0.8178  0.1542  0.2139  1
  Fe  Fe13  1  0.1541  0.3233  0.7148  1
  Fe  Fe14  1  0.1549  0.8172  0.7143  1
  Fe  Fe15  1  0.3250  0.1545  0.2151  1
  Ni  Ni16  1  0.3190  0.6536  0.9719  1
  Ni  Ni17  1  0.6558  0.3230  0.4720  1
  O  O18  1  0.0047  0.4903  0.8311  1
  O  O19  1  0.1446  0.3063  0.0963  1
  O  O20  1  0.1458  0.8196  0.0982  1
  O  O21  1  0.3095  0.1563  0.5976  1
  O  O22  1  0.3261  0.6656  0.5928  1
  O  O23  1  0.4741  0.4944  0.8303  1
  O  O24  1  0.4779  0.9704  0.8339  1
  O  O25  1  0.4964  0.4789  0.3323  1
  O  O26  1  0.4985  0.0052  0.3338  1
  O  O27  1  0.6553  0.3195  0.0956  1
  O  O28  1  0.6615  0.8222  0.0989  1
  O  O29  1  0.8241  0.6655  0.5946  1
  O  O30  1  0.8255  0.1508  0.6002  1
  O  O31  1  0.9699  0.4760  0.3325  1
  O  O32  1  0.9768  0.9722  0.8293  1
  O  O33  1  0.9825  0.9828  0.3260  1
]