data_[Sc8Cu8Sn4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.5653]
_cell_length_b [4.3116]
_cell_length_c [10.5656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sc2Cu2SnGe]
_chemical_formula_sum '[Sc8 Cu8 Sn4 Ge4]'
_cell_volume [453.7514]
_cell_formula_units_Z [4]
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  1  0.1149  0.5000  0.1223  1
  Sc  Sc1  1  0.2495  0.0000  0.4975  1
  Sc  Sc2  1  0.3810  0.5000  0.8710  1
  Sc  Sc3  1  0.5068  0.0000  0.2567  1
  Sc  Sc4  1  0.6286  0.5000  0.6288  1
  Sc  Sc5  1  0.7510  0.0000  0.9961  1
  Sc  Sc6  1  0.8749  0.5000  0.3774  1
  Sc  Sc7  1  0.9916  0.0000  0.7496  1
  Cu  Cu8  1  0.1186  0.5000  0.3692  1
  Cu  Cu9  1  0.2544  0.0000  0.7492  1
  Cu  Cu10  1  0.3742  0.5000  0.1248  1
  Cu  Cu11  1  0.5067  0.0000  0.5081  1
  Cu  Cu12  1  0.6275  0.5000  0.8708  1
  Cu  Cu13  1  0.7577  0.0000  0.2548  1
  Cu  Cu14  1  0.8700  0.5000  0.6250  1
  Cu  Cu15  1  0.9940  0.0000  0.9989  1
  Sn  Sn16  1  0.1243  0.5000  0.6252  1
  Sn  Sn17  1  0.2495  0.0000  0.9995  1
  Sn  Sn18  1  0.3753  0.5000  0.3756  1
  Sn  Sn19  1  0.6268  0.5000  0.1253  1
  Ge  Ge20  1  0.5017  0.0000  0.7493  1
  Ge  Ge21  1  0.7504  0.0000  0.5015  1
  Ge  Ge22  1  0.8728  0.5000  0.8739  1
  Ge  Ge23  1  0.9981  0.0000  0.2493  1
]