data_[Si26Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7489]
_cell_length_b [10.3082]
_cell_length_c [10.3092]
_cell_angle_alpha [81.7814]
_cell_angle_beta [70.9006]
_cell_angle_gamma [83.7373]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si13Ge3]
_chemical_formula_sum '[Si26 Ge6]'
_cell_volume [669.2662]
_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
[
  Si  Si0  1  -0.0000  0.3769  0.8750  1
  Si  Si1  1  0.0004  0.7488  0.7500  1
  Si  Si2  1  0.0044  0.2470  0.2480  1
  Si  Si3  1  0.1201  0.0762  0.3890  1
  Si  Si4  1  0.1252  0.5784  0.8899  1
  Si  Si5  1  0.1257  0.3318  0.6420  1
  Si  Si6  1  0.1259  0.7029  0.5170  1
  Si  Si7  1  0.1267  0.2076  0.0142  1
  Si  Si8  1  0.1288  0.9494  0.7631  1
  Si  Si9  1  0.4980  0.3143  0.5667  1
  Si  Si10  1  0.4986  0.1890  0.9372  1
  Si  Si11  1  0.4994  0.5630  0.8128  1
  Si  Si12  1  0.4999  0.6859  0.4382  1
  Si  Si13  1  0.5006  0.9362  0.6881  1
  Si  Si14  1  0.5042  0.4413  0.1832  1
  Si  Si15  1  0.5058  0.8116  0.0603  1
  Si  Si16  1  0.6184  0.1407  0.7051  1
  Si  Si17  1  0.6213  0.0155  0.0744  1
  Si  Si18  1  0.6245  0.5162  0.5797  1
  Si  Si19  1  0.6258  0.6419  0.2028  1
  Si  Si20  1  0.6261  0.8862  0.4562  1
  Si  Si21  1  0.6264  0.3913  0.9515  1
  Si  Si22  1  0.6265  0.7647  0.8276  1
  Si  Si23  1  0.9967  0.6236  0.1226  1
  Si  Si24  1  0.9976  0.8733  0.3796  1
  Si  Si25  1  0.9979  0.5018  0.5038  1
  Ge  Ge26  1  0.1255  0.4530  0.2663  1
  Ge  Ge27  1  0.1267  0.8253  0.1429  1
  Ge  Ge28  1  0.4981  0.0583  0.3124  1
  Ge  Ge29  1  0.6264  0.2689  0.3285  1
  Ge  Ge30  1  0.9988  0.1260  0.6249  1
  Ge  Ge31  1  0.9997  0.0031  0.9969  1
]