data_CuSi4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSi4W
_chemical_formula_sum   'Cu1 Si4 W1'
_cell_volume   80.37
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.28  0.28  0.57  1.0
  Si  Si2  1  0.28  0.57  0.28  1.0
  Si  Si3  1  0.57  0.28  0.28  1.0
  Si  Si4  1  0.57  0.57  0.57  1.0
  W  W5  1  0.14  0.14  0.14  1.0

data_CuSi4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.84
_cell_length_b   4.84
_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   CuSi4W
_chemical_formula_sum   'Cu3 Si12 W3'
_cell_volume   241.11
_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
  Si  Si0  9  0.1  0.2  0.62  1.0
  Cu  Cu1  3  0.0  0.0  0.0  1.0
  Si  Si2  3  0.0  0.0  0.43  1.0
  W  W3  3  0.0  0.0  0.86  1.0

Cu Si Si Si Si W
Cu Si Si Si Si W 0 3 - o o 0 2 o - o 0 1 o o - 0 5 o o o 0 4 o - - 0 4 - o - 0 4 - - o 1 3 o o o 1 2 o o o 1 4 o o o 1 4 o - o 1 4 - o o 2 3 o o o 2 4 o o o 2 4 o o - 2 4 - o o 3 4 o o o 3 4 o o - 3 4 o - o 4 5 o o + 4 5 o + o 4 5 + o o 
WCuSi4 crystallizes in the trigonal R3m space group. W(1) is bonded in a distorted single-bond geometry to one Cu(1), three equivalent Si(1), and three equivalent Si(2) atoms. The W(1)-Cu(1) bond length is 1.64 Å. All W(1)-Si(1) bond lengths are 2.27 Å. All W(1)-Si(2) bond lengths are 3.04 Å. Cu(1) is bonded in a single-bond geometry to one W(1), three equivalent Si(1), and three equivalent Si(2) atoms. All Cu(1)-Si(1) bond lengths are 2.04 Å. All Cu(1)-Si(2) bond lengths are 3.01 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one W(1), one Cu(1), one Si(2), and two equivalent Si(1) atoms. The Si(1)-Si(2) bond length is 2.47 Å. Both Si(1)-Si(1) bond lengths are 1.42 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent W(1), three equivalent Cu(1), and three equivalent Si(1) atoms.