data_[Zr2Sc4Cu8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0291]
_cell_length_b [6.5556]
_cell_length_c [13.3338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [ZrSc2(CuGe)4]
_chemical_formula_sum '[Zr2 Sc4 Cu8 Ge8]'
_cell_volume [352.1860]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.5000  0.1264  1
  Cu  Cu2  8  0.0000  0.3070  0.3289  1
  Ge  Ge3  4  0.0000  0.0000  0.2174  1
  Ge  Ge4  4  0.0000  0.1948  0.5000  1
]