data_[Na24Zr3Zn9P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [9.1121]
_cell_length_b [9.1121]
_cell_length_c [22.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Na8ZrZn3(PO4)6]
_chemical_formula_sum '[Na24 Zr3 Zn9 P18 O72]'
_cell_volume [1600.0644]
_cell_formula_units_Z [3]
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  3  0.0018  0.3718  0.0907  1
  Na  Na1  3  0.0367  0.3467  0.4092  1
  Na  Na2  3  0.0401  0.6941  0.9151  1
  Na  Na3  3  0.3208  0.0234  0.7431  1
  Na  Na4  3  0.3345  0.3000  0.2514  1
  Na  Na5  3  0.3720  0.3707  0.5813  1
  Na  Na6  1  0.0000  0.0000  0.3248  1
  Na  Na7  1  0.0000  0.0000  0.8266  1
  Na  Na8  1  0.3333  0.6667  0.0053  1
  Na  Na9  1  0.3333  0.6667  0.4969  1
  Na  Na10  1  0.6667  0.3333  0.1721  1
  Na  Na11  1  0.6667  0.3333  0.6570  1
  Zr  Zr12  1  0.0000  0.0000  0.4822  1
  Zr  Zr13  1  0.0000  0.0000  0.9851  1
  Zr  Zr14  1  0.6667  0.3333  0.8149  1
  Zn  Zn15  1  0.0000  0.0000  0.1840  1
  Zn  Zn16  1  0.0000  0.0000  0.6773  1
  Zn  Zn17  1  0.3333  0.6667  0.1597  1
  Zn  Zn18  1  0.3333  0.6667  0.3420  1
  Zn  Zn19  1  0.3333  0.6667  0.6508  1
  Zn  Zn20  1  0.3333  0.6667  0.8440  1
  Zn  Zn21  1  0.6667  0.3333  0.0180  1
  Zn  Zn22  1  0.6667  0.3333  0.3175  1
  Zn  Zn23  1  0.6667  0.3333  0.5100  1
  P  P24  3  0.0361  0.3699  0.2498  1
  P  P25  3  0.0414  0.6689  0.7504  1
  P  P26  3  0.2982  0.0002  0.5861  1
  P  P27  3  0.2994  0.2978  0.0848  1
  P  P28  3  0.3723  0.0366  0.9185  1
  P  P29  3  0.3747  0.3357  0.4171  1
  O  O30  3  0.0158  0.8245  0.7461  1
  O  O31  3  0.0191  0.1911  0.2454  1
  O  O32  3  0.0227  0.8152  0.0265  1
  O  O33  3  0.0234  0.2054  0.5305  1
  O  O34  3  0.1155  0.4793  0.1924  1
  O  O35  3  0.1156  0.6312  0.6950  1
  O  O36  3  0.1420  0.6509  0.4126  1
  O  O37  3  0.1422  0.4912  0.9113  1
  O  O38  3  0.1452  0.6952  0.8083  1
  O  O39  3  0.1469  0.4505  0.3064  1
  O  O40  3  0.1619  0.6895  0.0852  1
  O  O41  3  0.1634  0.4727  0.5877  1
  O  O42  3  0.1914  0.1717  0.4241  1
  O  O43  3  0.1928  0.0229  0.9205  1
  O  O44  3  0.2129  0.1827  0.1385  1
  O  O45  3  0.2170  0.0293  0.6426  1
  O  O46  3  0.4486  0.2977  0.3618  1
  O  O47  3  0.4564  0.1509  0.8615  1
  O  O48  3  0.4750  0.3136  0.0776  1
  O  O49  3  0.4751  0.1603  0.5797  1
  O  O50  3  0.4791  0.3623  0.4752  1
  O  O51  3  0.4814  0.1201  0.9731  1
  O  O52  3  0.4948  0.1424  0.2545  1
  O  O53  3  0.4950  0.3531  0.7569  1
]