data_[Na4Mg1Ni2O6]
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 [5.6470]
_cell_length_b [6.0576]
_cell_length_c [6.2821]
_cell_angle_alpha [116.5859]
_cell_angle_beta [93.6828]
_cell_angle_gamma [112.5373]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4Mg(NiO3)2]
_chemical_formula_sum '[Na4 Mg1 Ni2 O6]'
_cell_volume [170.1114]
_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  0.1932  0.1738  0.0320  1
  Na  Na1  1  0.4588  0.2006  0.4780  1
  Na  Na2  1  0.6316  0.8161  0.7410  1
  Na  Na3  1  0.7674  0.9167  0.2975  1
  Mg  Mg4  1  0.0009  0.5892  0.4254  1
  Ni  Ni5  1  0.1665  0.5670  0.8967  1
  Ni  Ni6  1  0.6950  0.3766  0.0198  1
  O  O7  1  0.0956  0.7507  0.2036  1
  O  O8  1  0.2178  0.7884  0.7595  1
  O  O9  1  0.4481  0.4717  0.8778  1
  O  O10  1  0.6169  0.5226  0.3343  1
  O  O11  1  0.8224  0.2518  0.7307  1
  O  O12  1  0.8389  0.2028  0.1442  1
]