data_[Na4Mg1Ni4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0220]
_cell_length_b [6.3667]
_cell_length_c [7.0402]
_cell_angle_alpha [109.5677]
_cell_angle_beta [96.4668]
_cell_angle_gamma [104.4244]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4Mg(Ni2O5)2]
_chemical_formula_sum '[Na4 Mg1 Ni4 O10]'
_cell_volume [200.6165]
_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
[
  Na  Na0  1  0.3693  0.2829  0.7494  1.0
  Na  Na1  1  0.5741  0.7166  0.1774  1.0
  Na  Na2  1  0.7815  0.0898  0.5479  1.0
  Na  Na3  1  0.9816  0.5212  0.9880  1.0
  Mg  Mg4  1  0.1809  0.4038  0.3626  1.0
  Ni  Ni5  1  0.3769  0.7991  0.7640  1.0
  Ni  Ni6  1  0.5775  0.2089  0.1620  1.0
  Ni  Ni7  1  0.7764  0.6012  0.5684  1.0
  Ni  Ni8  1  0.9768  0.0021  0.9620  1.0
  O  O9  1  0.0689  0.9070  0.6941  1.0
  O  O10  1  0.0816  0.5017  0.6577  1.0
  O  O11  1  0.2872  0.8863  0.0294  1.0
  O  O12  1  0.2904  0.3269  0.0799  1.0
  O  O13  1  0.4895  0.7250  0.5064  1.0
  O  O14  1  0.5170  0.3033  0.4580  1.0
  O  O15  1  0.6620  0.0990  0.8692  1.0
  O  O16  1  0.6622  0.6720  0.8293  1.0
  O  O17  1  0.8584  0.5337  0.3032  1.0
  O  O18  1  0.8690  0.0828  0.2216  1.0
]