data_[Na3Mg1Ni5O10]
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 [5.1111]
_cell_length_b [6.1214]
_cell_length_c [6.9534]
_cell_angle_alpha [106.2658]
_cell_angle_beta [98.6093]
_cell_angle_gamma [106.2493]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Mg(NiO2)5]
_chemical_formula_sum '[Na3 Mg1 Ni5 O10]'
_cell_volume [194.2641]
_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  0.3834  0.2771  0.7728  1.0
  Na  Na1  1  0.6120  0.7168  0.2216  1.0
  Na  Na2  1  0.7823  0.0839  0.5819  1.0
  Mg  Mg3  1  0.0062  0.5119  0.0100  1.0
  Ni  Ni4  1  0.0023  0.0058  0.0064  1.0
  Ni  Ni5  1  0.2028  0.3998  0.3959  1.0
  Ni  Ni6  1  0.3974  0.7972  0.8047  1.0
  Ni  Ni7  1  0.6012  0.2061  0.1970  1.0
  Ni  Ni8  1  0.7983  0.6003  0.6099  1.0
  O  O9  1  0.0649  0.9191  0.7377  1.0
  O  O10  1  0.0763  0.4728  0.7034  1.0
  O  O11  1  0.2709  0.3248  0.0927  1.0
  O  O12  1  0.2951  0.8898  0.0860  1.0
  O  O13  1  0.4941  0.7055  0.5256  1.0
  O  O14  1  0.5109  0.2895  0.4689  1.0
  O  O15  1  0.7184  0.1377  0.9305  1.0
  O  O16  1  0.7342  0.6850  0.9165  1.0
  O  O17  1  0.9042  0.5110  0.3013  1.0
  O  O18  1  0.9311  0.0868  0.2741  1.0
]