data_[Li4Fe3Ni2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.0999]
_cell_length_b [5.1239]
_cell_length_c [7.7587]
_cell_angle_alpha [71.0051]
_cell_angle_beta [71.0527]
_cell_angle_gamma [79.6448]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Fe3(NiO5)2]
_chemical_formula_sum '[Li4 Fe3 Ni2 O10]'
_cell_volume [180.6940]
_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  0.2255  0.5141  0.5757  1
  Li  Li1  1  0.5024  0.0141  0.4942  1
  Li  Li2  1  0.6248  0.5140  0.7685  1
  Li  Li3  1  0.7957  0.4864  0.4099  1
  Fe  Fe4  1  0.3059  0.0034  0.8878  1
  Fe  Fe5  1  0.6797  0.0071  0.1151  1
  Fe  Fe6  1  0.9984  0.5019  0.0080  1
  Ni  Ni7  1  0.0986  0.9883  0.3073  1
  Ni  Ni8  1  0.8983  0.9954  0.6927  1
  O  O9  1  0.0350  0.7691  0.1460  1
  O  O10  1  0.1169  0.1987  0.4632  1
  O  O11  1  0.2340  0.7474  0.7688  1
  O  O12  1  0.3218  0.2171  0.0672  1
  O  O13  1  0.4327  0.7851  0.3419  1
  O  O14  1  0.5518  0.2342  0.6619  1
  O  O15  1  0.6770  0.7803  0.9310  1
  O  O16  1  0.7862  0.2340  0.2462  1
  O  O17  1  0.8775  0.7646  0.5309  1
  O  O18  1  0.9470  0.2515  0.8627  1
]