data_YScCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScCuGe
_chemical_formula_sum   'Y1 Sc1 Cu1 Ge1'
_cell_volume   80.47
_cell_formula_units_Z   1
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
  Y  Y3  1  0.71  0.71  0.71  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.14  0.14  0.14  1.0
  Ge  Ge2  1  0.43  0.43  0.43  1.0

data_YScCuGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YScCuGe
_chemical_formula_sum   'Y3 Sc3 Cu3 Ge3'
_cell_volume   241.4
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Y  Y0  3  0.0  0.0  0.29  1.0
  Sc  Sc1  3  0.0  0.0  0.0  1.0
  Cu  Cu2  3  0.0  0.0  0.86  1.0
  Ge  Ge3  3  0.0  0.0  0.57  1.0

Y Sc Cu Ge
YScCuGe crystallizes in the trigonal R3m space group. Y(1) is bonded in a 11-coordinate geometry to four equivalent Sc(1), three equivalent Cu(1), and four equivalent Ge(1) atoms. There are three shorter (2.85 Å) and one longer (3.40 Å) Y(1)-Sc(1) bond length. All Y(1)-Cu(1) bond lengths are 3.01 Å. There are three shorter (2.85 Å) and one longer (3.40 Å) Y(1)-Ge(1) bond length. Sc(1) is bonded in a single-bond geometry to four equivalent Y(1), one Cu(1), and three equivalent Ge(1) atoms. The Sc(1)-Cu(1) bond length is 1.66 Å. All Sc(1)-Ge(1) bond lengths are 3.01 Å. Cu(1) is bonded in a single-bond geometry to three equivalent Y(1), one Sc(1), and three equivalent Ge(1) atoms. All Cu(1)-Ge(1) bond lengths are 2.85 Å. Ge(1) is bonded in a 10-coordinate geometry to four equivalent Y(1), three equivalent Sc(1), and three equivalent Cu(1) atoms.