data_Ga2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsW
_chemical_formula_sum   'Ga2 As1 W1'
_cell_volume   67.95
_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
  Ga  Ga1  1  0.86  0.86  0.86  1.0
  Ga  Ga2  1  0.62  0.62  0.62  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.24  0.24  0.24  1.0

data_Ga2AsW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ga2AsW
_chemical_formula_sum   'Ga6 As3 W3'
_cell_volume   203.86
_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
  Ga  Ga0  3  0.0  0.0  0.14  1.0
  Ga  Ga1  3  0.0  0.0  0.38  1.0
  As  As2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.76  1.0

Ga Ga As W
WGa2As crystallizes in the trigonal R3m space group. W(1) is bonded in a 10-coordinate geometry to three equivalent Ga(1), three equivalent Ga(2), and four equivalent As(1) atoms. All W(1)-Ga(1) bond lengths are 2.70 Å. All W(1)-Ga(2) bond lengths are 2.70 Å. There is one shorter (2.68 Å) and three longer (2.85 Å) W(1)-As(1) bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to three equivalent W(1), one Ga(2), and one As(1) atom. The Ga(1)-Ga(2) bond length is 2.68 Å. The Ga(1)-As(1) bond length is 1.59 Å. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to three equivalent W(1), one Ga(1), and three equivalent As(1) atoms. All Ga(2)-As(1) bond lengths are 2.70 Å. As(1) is bonded in a single-bond geometry to four equivalent W(1), one Ga(1), and three equivalent Ga(2) atoms.