The crystal structure described by LuAuSi crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Si(1) atoms. In the second Lu site, Lu(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Si(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_LuSiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.277
_cell_length_b   4.277
_cell_length_c   7.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   113.552
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.333  0.667  0.712  1.0
  Si  Si3  1  0.333  0.667  0.288  1.0
  Au  Au4  1  0.667  0.333  0.218  1.0
  Au  Au5  1  0.667  0.333  0.782  1.0
[/CIF]
.
The crystal structure described by LuAuSi crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Si(1) atoms. In the second Lu site, Lu(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Si(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_LuSiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.277
_cell_length_b   4.277
_cell_length_c   7.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   113.552
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.333  0.667  0.712  1.0
  Si  Si3  1  0.333  0.667  0.288  1.0
  Au  Au4  1  0.667  0.333  0.218  1.0
  Au  Au5  1  0.667  0.333  0.782  1.0
[/CIF]
.