data_[Sc6Ge14Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2799]
_cell_length_b [25.0619]
_cell_length_c [4.1273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc3Ge7Ru2]
_chemical_formula_sum '[Sc6 Ge14 Ru4]'
_cell_volume [442.6983]
_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
[
  Sc  Sc0  4  0.0000  0.1822  0.0000  1
  Sc  Sc1  2  0.0000  0.5000  0.5000  1
  Ge  Ge2  4  0.0000  0.0848  0.5000  1
  Ge  Ge3  4  0.0000  0.2777  0.5000  1
  Ge  Ge4  4  0.0000  0.4196  0.0000  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
  Ru  Ru6  4  0.0000  0.3724  0.5000  1
]