data_GaCu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2W
_chemical_formula_sum   'Ga1 Cu2 W1'
_cell_volume   54.89
_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  Ga2  1  0.0  0.0  0.76  1.0
  Cu  Cu0  1  0.0  0.0  0.13  1.0
  Cu  Cu1  1  0.93  0.0  0.49  1.0
  W  W3  1  0.93  0.0  0.72  1.0

data_GaCu2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GaCu2W
_chemical_formula_sum   'Ga1 Cu2 W1'
_cell_volume   54.9
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Ga0  1  0.0  0.0  0.76  1.0
  Cu  Cu1  1  0.0  0.0  0.13  1.0
  Cu  Cu2  1  0.93  0.0  0.49  1.0
  W  W3  1  0.93  0.0  0.72  1.0

Ga Cu Cu W
WCu2Ga crystallizes in the monoclinic Pm space group. W(1) is bonded in a distorted single-bond geometry to one Cu(2) and one Ga(1) atom. The W(1)-Cu(2) bond length is 1.69 Å. The W(1)-Ga(1) bond length is 0.33 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Cu(2), four equivalent Cu(1), and one Ga(1) atom to form a mixture of edge and corner-sharing CuGaCu5 octahedra. The corner-sharing octahedra are not tilted. The Cu(1)-Cu(2) bond length is 2.64 Å. All Cu(1)-Cu(1) bond lengths are 2.75 Å. The Cu(1)-Ga(1) bond length is 2.66 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom. Ga(1) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom.