data_[Li20Si2P4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9958]
_cell_length_b [7.0002]
_cell_length_c [10.6540]
_cell_angle_alpha [90.8988]
_cell_angle_beta [90.2825]
_cell_angle_gamma [90.1153]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li10Si(PO6)2]
_chemical_formula_sum '[Li20 Si2 P4 O24]'
_cell_volume [521.6754]
_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  0.1834  0.7645  0.0821  1
  Li  Li1  1  0.2010  0.1676  0.2539  1
  Li  Li2  1  0.2173  0.2427  0.7469  1
  Li  Li3  1  0.2217  0.2219  0.0006  1
  Li  Li4  1  0.2307  0.7358  0.6212  1
  Li  Li5  1  0.2632  0.7944  0.3476  1
  Li  Li6  1  0.2640  0.7288  0.8449  1
  Li  Li7  1  0.2775  0.3024  0.5090  1
  Li  Li8  1  0.4548  0.4752  0.2553  1
  Li  Li9  1  0.4907  0.9910  0.9415  1
  Li  Li10  1  0.5248  0.0419  0.4390  1
  Li  Li11  1  0.7318  0.2664  0.7190  1
  Li  Li12  1  0.7462  0.7578  0.8730  1
  Li  Li13  1  0.7526  0.7801  0.3715  1
  Li  Li14  1  0.7543  0.7597  0.6444  1
  Li  Li15  1  0.7584  0.7508  0.1358  1
  Li  Li16  1  0.7624  0.2534  0.3094  1
  Li  Li17  1  0.7727  0.2150  0.9941  1
  Li  Li18  1  0.9517  0.4806  0.5753  1
  Li  Li19  1  0.9857  0.4807  0.0643  1
  Si  Si20  1  0.5049  0.0099  0.1849  1
  Si  Si21  1  0.9972  0.5096  0.8240  1
  P  P22  1  0.0136  0.5157  0.3144  1
  P  P23  1  0.4857  0.9957  0.6860  1
  P  P24  1  0.4953  0.4903  0.0050  1
  P  P25  1  0.9957  0.0340  0.5013  1
  O  O26  1  0.0019  0.3058  0.9012  1
  O  O27  1  0.0052  0.7028  0.2356  1
  O  O28  1  0.0093  0.2069  0.5945  1
  O  O29  1  0.0109  0.6841  0.9314  1
  O  O30  1  0.1785  0.0453  0.4168  1
  O  O31  1  0.1791  0.5246  0.7266  1
  O  O32  1  0.2061  0.5147  0.3902  1
  O  O33  1  0.3001  0.0106  0.1052  1
  O  O34  1  0.3090  0.9709  0.7718  1
  O  O35  1  0.3147  0.4899  0.0918  1
  O  O36  1  0.4765  0.1941  0.6218  1
  O  O37  1  0.4890  0.3051  0.9226  1
  O  O38  1  0.4918  0.8357  0.5825  1
  O  O39  1  0.4936  0.6803  0.9315  1
  O  O40  1  0.4971  0.1992  0.2809  1
  O  O41  1  0.5196  0.8173  0.2753  1
  O  O42  1  0.6710  0.9826  0.7679  1
  O  O43  1  0.6825  0.4875  0.0866  1
  O  O44  1  0.6832  0.0022  0.0855  1
  O  O45  1  0.8036  0.5338  0.7373  1
  O  O46  1  0.8099  0.0455  0.4208  1
  O  O47  1  0.8377  0.5122  0.4035  1
  O  O48  1  0.9918  0.8371  0.5657  1
  O  O49  1  0.9982  0.3386  0.2253  1
]