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 [P-1]
_cell_length_a [8.6641]
_cell_length_b [9.4922]
_cell_length_c [9.4924]
_cell_angle_alpha [70.5227]
_cell_angle_beta [68.5889]
_cell_angle_gamma [68.5686]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Si15Ge]
_chemical_formula_sum '[Si30 Ge2]'
_cell_volume [658.2653]
_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  2  0.1199  0.0301  0.6597  1
  Si  Si1  2  0.1242  0.2817  0.9058  1
  Si  Si2  2  0.1242  0.5327  0.4060  1
  Si  Si3  2  0.1243  0.2823  0.1549  1
  Si  Si4  2  0.1245  0.7804  0.6566  1
  Si  Si5  2  0.1247  0.0313  0.9069  1
  Si  Si6  2  0.1255  0.5313  0.1562  1
  Si  Si7  2  0.1260  0.7815  0.4059  1
  Si  Si8  2  0.3743  0.5932  0.7196  1
  Si  Si9  2  0.3743  0.8433  0.9696  1
  Si  Si10  2  0.3743  0.3439  0.7199  1
  Si  Si11  2  0.3745  0.3491  0.4687  1
  Si  Si12  2  0.3745  0.0941  0.2136  1
  Si  Si13  2  0.3752  0.5938  0.9687  1
  Si  Si14  2  0.3754  0.8427  0.2186  1
  Ge  Ge15  2  0.3706  0.0971  0.4676  1
]