data_[Na36Mg12Ti12P36O144]
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
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.3581]
_cell_length_b [8.8735]
_cell_length_c [21.9050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3MgTi(PO4)3]
_chemical_formula_sum '[Na36 Mg12 Ti12 P36 O144]'
_cell_volume [2985.2186]
_cell_formula_units_Z [12]
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  4  0.0050  0.3621  0.2529  1
  Na  Na1  4  0.0063  0.0216  0.0039  1
  Na  Na2  4  0.0124  0.3103  0.5864  1
  Na  Na3  4  0.1666  0.4971  0.6707  1
  Na  Na4  4  0.1701  0.1364  0.4197  1
  Na  Na5  4  0.3153  0.3226  0.2525  1
  Na  Na6  4  0.3353  0.0017  0.3373  1
  Na  Na7  4  0.3370  0.3649  0.5850  1
  Na  Na8  4  0.3464  0.3117  0.9193  1
  Mg  Mg9  4  0.0030  0.0018  0.1483  1
  Mg  Mg10  4  0.1661  0.4947  0.8149  1
  Mg  Mg11  4  0.3352  0.0033  0.4814  1
  Ti  Ti12  4  0.0013  0.0057  0.8512  1
  Ti  Ti13  4  0.1647  0.4909  0.0181  1
  Ti  Ti14  4  0.3294  0.0022  0.6847  1
  P  P15  4  0.0200  0.3529  0.4145  1
  P  P16  4  0.1468  0.1418  0.2497  1
  P  P17  4  0.1649  0.2078  0.9147  1
  P  P18  4  0.1861  0.1467  0.5794  1
  P  P19  4  0.3139  0.3552  0.4149  1
  P  P20  4  0.3305  0.2921  0.0816  1
  P  P21  4  0.3536  0.3521  0.7481  1
  P  P22  4  0.4797  0.1449  0.5834  1
  P  P23  4  0.4999  0.2060  0.2464  1
  O  O24  4  0.0076  0.2042  0.6880  1
  O  O25  4  0.0158  0.1740  0.4137  1
  O  O26  4  0.0624  0.4108  0.3568  1
  O  O27  4  0.0701  0.4391  0.0786  1
  O  O28  4  0.0757  0.4029  0.7546  1
  O  O29  4  0.0802  0.3886  0.4722  1
  O  O30  4  0.0804  0.1090  0.9115  1
  O  O31  4  0.0883  0.1147  0.1961  1
  O  O32  4  0.0941  0.0866  0.5881  1
  O  O33  4  0.1035  0.0751  0.3098  1
  O  O34  4  0.1530  0.3127  0.9733  1
  O  O35  4  0.1615  0.3129  0.2564  1
  O  O36  4  0.1807  0.3067  0.8605  1
  O  O37  4  0.1827  0.3248  0.5797  1
  O  O38  4  0.2267  0.0887  0.5214  1
  O  O39  4  0.2394  0.0664  0.2448  1
  O  O40  4  0.2431  0.1018  0.9230  1
  O  O41  4  0.2468  0.3939  0.0789  1
  O  O42  4  0.2498  0.1084  0.6354  1
  O  O43  4  0.2602  0.3851  0.3578  1
  O  O44  4  0.2640  0.4224  0.7562  1
  O  O45  4  0.2671  0.4316  0.4721  1
  O  O46  4  0.3205  0.1881  0.1400  1
  O  O47  4  0.3240  0.1857  0.4227  1
  O  O48  4  0.3435  0.1970  0.0249  1
  O  O49  4  0.3499  0.1750  0.7448  1
  O  O50  4  0.3952  0.4184  0.6913  1
  O  O51  4  0.4046  0.4378  0.4113  1
  O  O52  4  0.4095  0.3978  0.0884  1
  O  O53  4  0.4121  0.1127  0.2473  1
  O  O54  4  0.4153  0.3840  0.8056  1
  O  O55  4  0.4224  0.1138  0.5291  1
  O  O56  4  0.4272  0.0884  0.9214  1
  O  O57  4  0.4361  0.0704  0.6424  1
  O  O58  4  0.4885  0.3207  0.3021  1
  O  O59  4  0.4912  0.3143  0.5907  1
]