data_[Na24Ca16Ta8P24S12O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  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 [15.9405]
_cell_length_b [9.1757]
_cell_length_c [23.0168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na6Ca4Ta2P6(SO12)3]
_chemical_formula_sum '[Na24 Ca16 Ta8 P24 S12 O144]'
_cell_volume [3366.4283]
_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  0.1503  0.4991  0.3257  1
  Na  Na1  4  0.1722  0.1331  0.0855  1
  Na  Na2  4  0.3270  0.3268  0.2464  1
  Na  Na3  4  0.3321  0.0158  0.6700  1
  Na  Na4  4  0.4739  0.1901  0.0809  1
  Na  Na5  4  0.4877  0.4973  0.4892  1
  Ca  Ca6  4  0.0057  0.0025  0.3512  1
  Ca  Ca7  4  0.1649  0.4997  0.6885  1
  Ca  Ca8  4  0.3335  0.0025  0.5135  1
  Ca  Ca9  4  0.4992  0.5000  0.6555  1
  Ta  Ta10  4  0.1723  0.4970  0.9735  1
  Ta  Ta11  4  0.3327  0.0034  0.3224  1
  P  P12  4  0.1578  0.1469  0.2505  1
  P  P13  4  0.1872  0.1535  0.9208  1
  P  P14  4  0.3136  0.3583  0.0820  1
  P  P15  4  0.3311  0.2993  0.4183  1
  P  P16  4  0.4848  0.1414  0.9219  1
  P  P17  4  0.4933  0.1909  0.2519  1
  S  S18  4  0.0256  0.3545  0.0784  1
  S  S19  4  0.1645  0.2129  0.5794  1
  S  S20  4  0.3500  0.3364  0.7540  1
  O  O21  4  0.0004  0.2003  0.4105  1
  O  O22  4  0.0240  0.1930  0.0780  1
  O  O23  4  0.0647  0.4113  0.1313  1
  O  O24  4  0.0670  0.4135  0.7491  1
  O  O25  4  0.0736  0.4425  0.4240  1
  O  O26  4  0.0785  0.4002  0.0264  1
  O  O27  4  0.0848  0.1263  0.5780  1
  O  O28  4  0.0977  0.1167  0.2987  1
  O  O29  4  0.0993  0.1024  0.9105  1
  O  O30  4  0.1296  0.0880  0.1904  1
  O  O31  4  0.1613  0.3141  0.5269  1
  O  O32  4  0.1704  0.2981  0.6323  1
  O  O33  4  0.1831  0.3094  0.2499  1
  O  O34  4  0.1852  0.3303  0.9219  1
  O  O35  4  0.2213  0.1037  0.9787  1
  O  O36  4  0.2363  0.1114  0.5764  1
  O  O37  4  0.2435  0.3884  0.4231  1
  O  O38  4  0.2467  0.0654  0.2653  1
  O  O39  4  0.2510  0.1119  0.8703  1
  O  O40  4  0.2566  0.4192  0.0272  1
  O  O41  4  0.2651  0.3994  0.7485  1
  O  O42  4  0.2665  0.3947  0.1372  1
  O  O43  4  0.3172  0.1903  0.3642  1
  O  O44  4  0.3196  0.1897  0.0784  1
  O  O45  4  0.3409  0.2126  0.4725  1
  O  O46  4  0.3410  0.1732  0.7644  1
  O  O47  4  0.3914  0.4060  0.8032  1
  O  O48  4  0.3979  0.3514  0.6996  1
  O  O49  4  0.3996  0.4082  0.4078  1
  O  O50  4  0.4012  0.4263  0.0772  1
  O  O51  4  0.4105  0.0921  0.2661  1
  O  O52  4  0.4307  0.0648  0.8709  1
  O  O53  4  0.4409  0.0817  0.5750  1
  O  O54  4  0.4421  0.1173  0.9796  1
  O  O55  4  0.4697  0.2674  0.1934  1
  O  O56  4  0.4993  0.2999  0.3005  1
]