data_[Na1Sr12Ni7O23]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.0370]
_cell_length_b [9.5530]
_cell_length_c [9.7201]
_cell_angle_alpha [60.6796]
_cell_angle_beta [89.4042]
_cell_angle_gamma [89.9777]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaSr12Ni7O23]
_chemical_formula_sum '[Na1 Sr12 Ni7 O23]'
_cell_volume [650.6395]
_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  0.4938  0.9996  0.0029  1
  Sr  Sr1  1  0.0021  0.6960  0.9821  1
  Sr  Sr2  1  0.0030  0.3192  0.7095  1
  Sr  Sr3  1  0.2571  0.3106  0.0189  1
  Sr  Sr4  1  0.2572  0.6683  0.3037  1
  Sr  Sr5  1  0.2751  0.0320  0.6771  1
  Sr  Sr6  1  0.4815  0.0018  0.3613  1
  Sr  Sr7  1  0.4869  0.6379  0.9990  1
  Sr  Sr8  1  0.4972  0.3616  0.6343  1
  Sr  Sr9  1  0.7251  0.3222  0.9674  1
  Sr  Sr10  1  0.7308  0.9732  0.7033  1
  Sr  Sr11  1  0.7333  0.7035  0.3279  1
  Sr  Sr12  1  0.9968  0.9786  0.3102  1
  Ni  Ni13  1  0.1531  0.9992  0.9977  1
  Ni  Ni14  1  0.1556  0.3168  0.3489  1
  Ni  Ni15  1  0.2835  0.6537  0.6606  1
  Ni  Ni16  1  0.5014  0.3380  0.3286  1
  Ni  Ni17  1  0.6094  0.6661  0.6639  1
  Ni  Ni18  1  0.8295  0.9927  0.0011  1
  Ni  Ni19  1  0.9259  0.6671  0.6668  1
  O  O20  1  0.0000  0.1549  0.0067  1
  O  O21  1  0.0016  0.8317  0.1499  1
  O  O22  1  0.0069  0.0077  0.8295  1
  O  O23  1  0.0875  0.5518  0.8159  1
  O  O24  1  0.0894  0.7053  0.5148  1
  O  O25  1  0.1799  0.1038  0.4096  1
  O  O26  1  0.1831  0.4866  0.1514  1
  O  O27  1  0.2016  0.3668  0.5054  1
  O  O28  1  0.2762  0.9896  0.1675  1
  O  O29  1  0.2822  0.8418  0.9827  1
  O  O30  1  0.2827  0.1731  0.8451  1
  O  O31  1  0.4578  0.8066  0.6898  1
  O  O32  1  0.4671  0.4981  0.8065  1
  O  O33  1  0.4702  0.6888  0.4981  1
  O  O34  1  0.5229  0.3068  0.1547  1
  O  O35  1  0.5321  0.5445  0.2944  1
  O  O36  1  0.5410  0.1630  0.5265  1
  O  O37  1  0.7053  0.1665  0.8226  1
  O  O38  1  0.7066  0.0046  0.1695  1
  O  O39  1  0.7101  0.8222  0.0003  1
  O  O40  1  0.7592  0.5217  0.6375  1
  O  O41  1  0.7632  0.6453  0.8240  1
  O  O42  1  0.7671  0.8306  0.5278  1
]