data_[Na4La4Ti4P8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [16.1666]
_cell_length_b [9.0738]
_cell_length_c [9.2508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaLaTiP2SO12]
_chemical_formula_sum '[Na4 La4 Ti4 P8 S4 O48]'
_cell_volume [1139.8069]
_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  0.2345  0.2612  0.4763  1
  La  La1  4  0.3953  0.2577  0.9279  1
  Ti  Ti2  4  0.1162  0.2444  0.0626  1
  P  P3  4  0.0215  0.0422  0.2556  1
  P  P4  4  0.1380  0.4170  0.7477  1
  S  S5  4  0.3456  0.1248  0.2524  1
  O  O6  4  0.0464  0.3553  0.5911  1
  O  O7  4  0.0768  0.0731  0.9137  1
  O  O8  4  0.0993  0.1254  0.2353  1
  O  O9  4  0.1352  0.4097  0.2319  1
  O  O10  4  0.1360  0.3682  0.9156  1
  O  O11  4  0.2326  0.3598  0.7676  1
  O  O12  4  0.2584  0.2100  0.2377  1
  O  O13  4  0.3279  0.0323  0.7676  1
  O  O14  4  0.3378  0.1453  0.0891  1
  O  O15  4  0.4373  0.1815  0.4025  1
  O  O16  4  0.4504  0.4569  0.0940  1
  O  O17  4  0.4611  0.3448  0.7814  1
]