data_[Ge3Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.2634]
_cell_length_b [6.2634]
_cell_length_c [3.8819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [GeRu2]
_chemical_formula_sum '[Ge3 Ru6]'
_cell_volume [131.8855]
_cell_formula_units_Z [3]
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
[
  Ge  Ge0  2  0.3333  0.6667  0.0000  1
  Ge  Ge1  1  0.0000  0.0000  0.5000  1
  Ru  Ru2  3  0.0000  0.2538  0.0000  1
  Ru  Ru3  3  0.0000  0.5934  0.5000  1
]