data_[Ta4Al4P8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  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 [14.8741]
_cell_length_b [8.5434]
_cell_length_c [8.8419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TaAlP2SO12]
_chemical_formula_sum '[Ta4 Al4 P8 S4 O48]'
_cell_volume [933.0314]
_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
[
  Ta  Ta0  4  0.1075  0.2582  0.0783  1
  Al  Al1  4  0.3924  0.2518  0.9334  1
  P  P2  4  0.3616  0.4036  0.2449  1
  P  P3  4  0.4871  0.0335  0.7444  1
  S  S4  4  0.1448  0.1166  0.7471  1
  O  O5  4  0.0492  0.1843  0.5861  1
  O  O6  4  0.0682  0.3622  0.2246  1
  O  O7  4  0.0689  0.4331  0.9171  1
  O  O8  4  0.1424  0.1322  0.9126  1
  O  O9  4  0.1480  0.0578  0.2254  1
  O  O10  4  0.2421  0.1849  0.7743  1
  O  O11  4  0.2589  0.3215  0.2199  1
  O  O12  4  0.3606  0.4248  0.7820  1
  O  O13  4  0.3641  0.3700  0.0791  1
  O  O14  4  0.4212  0.1367  0.7843  1
  O  O15  4  0.4224  0.0709  0.0799  1
  O  O16  4  0.4605  0.3225  0.4169  1
]