data_[Na12Hf4Mg4P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.5971]
_cell_length_b [8.9912]
_cell_length_c [8.9700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3HfMg(PO4)3]
_chemical_formula_sum '[Na12 Hf4 Mg4 P12 O48]'
_cell_volume [1033.6276]
_cell_formula_units_Z [4]
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  0.0021  0.3886  0.2457  1
  Na  Na1  4  0.1846  0.0577  0.7863  1
  Na  Na2  4  0.2519  0.2779  0.4838  1
  Hf  Hf3  4  0.3945  0.2575  0.9414  1
  Mg  Mg4  4  0.1016  0.2497  0.0573  1
  P  P5  4  0.0033  0.0481  0.2622  1
  P  P6  4  0.1443  0.3936  0.7460  1
  P  P7  4  0.3526  0.1030  0.2615  1
  O  O8  4  0.0423  0.3331  0.5659  1
  O  O9  4  0.0674  0.0428  0.9346  1
  O  O10  4  0.0762  0.1520  0.2457  1
  O  O11  4  0.1424  0.3443  0.9052  1
  O  O12  4  0.1505  0.4372  0.2382  1
  O  O13  4  0.2372  0.3156  0.7530  1
  O  O14  4  0.2562  0.1616  0.2476  1
  O  O15  4  0.3471  0.0734  0.7582  1
  O  O16  4  0.3511  0.1410  0.0875  1
  O  O17  4  0.4180  0.3527  0.7542  1
  O  O18  4  0.4423  0.4417  0.0938  1
  O  O19  4  0.4545  0.1548  0.4319  1
]