data_[Na4Ni4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9628]
_cell_length_b [6.4454]
_cell_length_c [6.9921]
_cell_angle_alpha [110.7194]
_cell_angle_beta [95.7850]
_cell_angle_gamma [105.6977]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Ni2O5]
_chemical_formula_sum '[Na4 Ni4 O10]'
_cell_volume [196.5337]
_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
[
  Na  Na0  1  0.2003  0.3922  0.4074  1.0
  Na  Na1  1  0.5636  0.6943  0.2041  1.0
  Na  Na2  1  0.8471  0.1090  0.6005  1.0
  Na  Na3  1  0.9819  0.4992  0.0112  1.0
  Ni  Ni4  1  0.4020  0.8054  0.8011  1.0
  Ni  Ni5  1  0.5961  0.1985  0.1973  1.0
  Ni  Ni6  1  0.8025  0.6023  0.6014  1.0
  Ni  Ni7  1  0.9980  0.9970  0.9963  1.0
  O  O8  1  0.0973  0.9065  0.7275  1.0
  O  O9  1  0.1033  0.5207  0.7111  1.0
  O  O10  1  0.2932  0.2859  0.0930  1.0
  O  O11  1  0.3016  0.8925  0.0711  1.0
  O  O12  1  0.5291  0.7414  0.5501  1.0
  O  O13  1  0.5637  0.2857  0.4772  1.0
  O  O14  1  0.7011  0.1077  0.9250  1.0
  O  O15  1  0.7029  0.6940  0.8721  1.0
  O  O16  1  0.8443  0.5119  0.3190  1.0
  O  O17  1  0.8656  0.0547  0.2448  1.0
]