data_[Na8Mg8P24H64O80]
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
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [9.1487]
_cell_length_b [14.9640]
_cell_length_c [14.8431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [NaMgP3(H4O5)2]
_chemical_formula_sum '[Na8 Mg8 P24 H64 O80]'
_cell_volume [2032.0427]
_cell_formula_units_Z [8]
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  8  0.0628  0.6586  0.4338  1
  Mg  Mg1  8  0.0523  0.1597  0.4538  1
  P  P2  8  0.0339  0.0315  0.2616  1
  P  P3  8  0.2257  0.5299  0.9919  1
  P  P4  8  0.2380  0.7240  0.6192  1
  H  H5  8  0.0184  0.5778  0.8595  1
  H  H6  8  0.0849  0.0335  0.8985  1
  H  H7  8  0.1529  0.6634  0.1966  1
  H  H8  8  0.1882  0.0306  0.2626  1
  H  H9  8  0.1987  0.1984  0.8989  1
  H  H10  8  0.2127  0.2333  0.3171  1
  H  H11  8  0.2284  0.6401  0.6614  1
  H  H12  8  0.2451  0.0413  0.0842  1
  O  O13  8  0.0139  0.0652  0.7040  1
  O  O14  8  0.0158  0.6045  0.1728  1
  O  O15  8  0.0211  0.5412  0.3343  1
  O  O16  8  0.0903  0.5845  0.9685  1
  O  O17  8  0.1005  0.7404  0.5644  1
  O  O18  8  0.1171  0.2288  0.5696  1
  O  O19  8  0.1339  0.0748  0.9450  1
  O  O20  8  0.2119  0.2383  0.3836  1
  O  O21  8  0.2209  0.0687  0.4687  1
  O  O22  8  0.2410  0.7060  0.2014  1
]