data_[Si30Ge2]
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 [7.7514]
_cell_length_b [8.6655]
_cell_length_c [11.6282]
_cell_angle_alpha [107.3477]
_cell_angle_beta [90.0023]
_cell_angle_gamma [116.5663]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si15Ge]
_chemical_formula_sum '[Si30 Ge2]'
_cell_volume [658.6280]
_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  0.0311  0.5623  0.1250  1
  Si  Si1  1  0.0938  0.1875  0.8751  1
  Si  Si2  1  0.1256  0.2500  0.4993  1
  Si  Si3  1  0.1622  0.8168  0.6250  1
  Si  Si4  1  0.1880  0.8746  0.2489  1
  Si  Si5  1  0.2189  0.4380  0.3751  1
  Si  Si6  1  0.2503  0.4993  0.0012  1
  Si  Si7  1  0.2811  0.0621  0.1242  1
  Si  Si8  1  0.3141  0.1270  0.7505  1
  Si  Si9  1  0.3478  0.6883  0.8782  1
  Si  Si10  1  0.3759  0.7504  0.4994  1
  Si  Si11  1  0.4064  0.3129  0.6249  1
  Si  Si12  1  0.4363  0.3737  0.2499  1
  Si  Si13  1  0.4684  0.9367  0.3741  1
  Si  Si14  1  0.5012  0.0013  0.0002  1
  Si  Si15  1  0.5312  0.5622  0.1261  1
  Si  Si16  1  0.5616  0.6246  0.7507  1
  Si  Si17  1  0.5944  0.1889  0.8756  1
  Si  Si18  1  0.6235  0.2480  0.4994  1
  Si  Si19  1  0.6529  0.8133  0.6273  1
  Si  Si20  1  0.6871  0.8756  0.2489  1
  Si  Si21  1  0.7161  0.4321  0.3730  1
  Si  Si22  1  0.7495  0.5004  0.0010  1
  Si  Si23  1  0.7817  0.0634  0.1248  1
  Si  Si24  1  0.8120  0.1250  0.7506  1
  Si  Si25  1  0.8405  0.6884  0.8771  1
  Si  Si26  1  0.9036  0.3071  0.6228  1
  Si  Si27  1  0.9380  0.3748  0.2497  1
  Si  Si28  1  0.9700  0.9402  0.3719  1
  Si  Si29  1  0.9996  0.0003  0.0001  1
  Ge  Ge30  1  0.0630  0.6246  0.7506  1
  Ge  Ge31  1  0.8744  0.7503  0.4994  1
]