data_[Si7Ge1]
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-43m]
_cell_length_a [5.4991]
_cell_length_b [5.4991]
_cell_length_c [5.4991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [215]
_chemical_formula_structural [Si7Ge]
_chemical_formula_sum '[Si7 Ge1]'
_cell_volume [166.2899]
_cell_formula_units_Z [1]
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  4  0.2529  0.2529  0.2529  1.0
  Si  Si1  3  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
]