data_[Li20Sn2P4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6653]
_cell_length_b [8.9496]
_cell_length_c [13.1419]
_cell_angle_alpha [91.9986]
_cell_angle_beta [90.6084]
_cell_angle_gamma [90.0779]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li10Sn(PS6)2]
_chemical_formula_sum '[Li20 Sn2 P4 S24]'
_cell_volume [1018.4918]
_cell_formula_units_Z [2]
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
[
  Li  Li0  1  0.2138  0.8165  0.7530  1
  Li  Li1  1  0.2201  0.2589  0.9197  1
  Li  Li2  1  0.2302  0.2271  0.3668  1
  Li  Li3  1  0.2313  0.7586  0.2529  1
  Li  Li4  1  0.2405  0.2130  0.6493  1
  Li  Li5  1  0.2442  0.7197  0.4853  1
  Li  Li6  1  0.2449  0.7609  0.0056  1
  Li  Li7  1  0.2622  0.2873  0.1576  1
  Li  Li8  1  0.4616  0.5149  0.7508  1
  Li  Li9  1  0.4966  0.9964  0.0522  1
  Li  Li10  1  0.5110  0.9641  0.5474  1
  Li  Li11  1  0.7363  0.2577  0.8576  1
  Li  Li12  1  0.7398  0.2609  0.1310  1
  Li  Li13  1  0.7420  0.7480  0.2832  1
  Li  Li14  1  0.7484  0.7611  0.0083  1
  Li  Li15  1  0.7533  0.2188  0.3522  1
  Li  Li16  1  0.7652  0.7272  0.6883  1
  Li  Li17  1  0.7840  0.2155  0.6254  1
  Li  Li18  1  0.9637  0.5175  0.4278  1
  Li  Li19  1  0.9889  0.5174  0.9500  1
  Sn  Sn20  1  0.5103  0.9896  0.8152  1
  Sn  Sn21  1  0.9962  0.4898  0.1833  1
  P  P22  1  0.0087  0.4828  0.6842  1
  P  P23  1  0.4879  0.0093  0.3106  1
  P  P24  1  0.4924  0.5156  0.9929  1
  P  P25  1  0.9933  0.9652  0.5017  1
  S  S26  1  0.0013  0.7235  0.0977  1
  S  S27  1  0.0030  0.2830  0.7598  1
  S  S28  1  0.0050  0.7945  0.3910  1
  S  S29  1  0.0077  0.2853  0.0585  1
  S  S30  1  0.1942  0.9477  0.5877  1
  S  S31  1  0.2101  0.4860  0.6018  1
  S  S32  1  0.2139  0.4777  0.2982  1
  S  S33  1  0.2720  0.9882  0.9105  1
  S  S34  1  0.2939  0.0313  0.2199  1
  S  S35  1  0.2971  0.5306  0.9019  1
  S  S36  1  0.4846  0.8022  0.3743  1
  S  S37  1  0.4870  0.3116  0.0589  1
  S  S38  1  0.4905  0.7802  0.6945  1
  S  S39  1  0.4953  0.6940  0.0958  1
  S  S40  1  0.4955  0.1766  0.4218  1
  S  S41  1  0.5192  0.2142  0.7156  1
  S  S42  1  0.6832  0.5302  0.9009  1
  S  S43  1  0.6842  0.0159  0.2221  1
  S  S44  1  0.7263  0.0020  0.9296  1
  S  S45  1  0.7656  0.4651  0.2800  1
  S  S46  1  0.8023  0.9463  0.5896  1
  S  S47  1  0.8172  0.4911  0.5900  1
  S  S48  1  0.9886  0.1747  0.4436  1
  S  S49  1  0.9931  0.6614  0.7870  1
]