data_[Sc2Ga10Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3362]
_cell_length_b [12.9836]
_cell_length_c [6.1147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ScGa5Ru6]
_chemical_formula_sum '[Sc2 Ga10 Ru12]'
_cell_volume [344.2588]
_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  2  0.0000  0.0000  0.0000  1
  Ga  Ga1  4  0.0000  0.3346  0.5000  1
  Ga  Ga2  4  0.0000  0.3407  0.0000  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Ru  Ru4  8  0.0000  0.1739  0.2530  1
  Ru  Ru5  4  0.0000  0.5000  0.2667  1
]