data_GaRe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   17.99
_cell_angle_beta   17.99
_cell_angle_gamma   17.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2W
_chemical_formula_sum   'Ga1 Re2 W1'
_cell_volume   61.67
_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  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.01  1.0
  Re  Re2  1  0.0  0.0  0.68  1.0
  W  W3  1  0.0  0.0  0.35  1.0

data_GaRe2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaRe2W
_chemical_formula_sum   'Ga2 Re4 W2'
_cell_volume   123.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.32  1.0
  Re  Re2  2  0.0  0.0  0.99  1.0
  W  W3  2  0.0  0.0  0.65  1.0

Ga Re Re W
WRe2Ga crystallizes in the monoclinic Cm space group. W(1) is bonded in a distorted linear geometry to six equivalent W(1), one Re(1), and one Re(2) atom. All W(1)-W(1) bond lengths are 2.83 Å. The W(1)-Re(1) bond length is 3.00 Å. The W(1)-Re(2) bond length is 3.00 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one W(1) and one Ga(1) atom. The Re(1)-Ga(1) bond length is 0.13 Å. In the second Re site, Re(2) is bonded in a 8-coordinate geometry to one W(1), six equivalent Re(2), and one Ga(1) atom. All Re(2)-Re(2) bond lengths are 2.83 Å. The Re(2)-Ga(1) bond length is 2.91 Å. Ga(1) is bonded in a single-bond geometry to one Re(1) and one Re(2) atom.