data_[Sc4Ta2Ge4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.9459]
_cell_length_b [9.9459]
_cell_length_c [3.2864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2TaGe2Ru5]
_chemical_formula_sum '[Sc4 Ta2 Ge4 Ru10]'
_cell_volume [325.0939]
_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  0.1714  0.6714  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  4  0.1294  0.3706  0.0000  1.0
  Ru  Ru3  8  0.0646  0.2026  0.5000  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]