The material described by Mo8Ga40S crystallizes in the monoclinic C2/m space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Ga(2), one Ga(4), two equivalent Ga(11), two equivalent Ga(12), two equivalent Ga(14), and two equivalent Ga(8) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(11), two equivalent Ga(13), two equivalent Ga(15), and two equivalent Ga(7) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Ga(2), one Ga(4), two equivalent Ga(13), two equivalent Ga(14), two equivalent Ga(5), and two equivalent Ga(9) atoms. In the fourth Mo site, Mo(4) is bonded in a 10-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(10), two equivalent Ga(12), two equivalent Ga(15), and two equivalent Ga(6) atoms. There are fifteen inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(4) atom. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), two equivalent Ga(9), and one S(1) atom. In the third Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(4) atom. In the fourth Ga site, Ga(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), two equivalent Ga(13), and one S(1) atom. In the fifth Ga site, Ga(5) is bonded in a 6-coordinate geometry to two equivalent Mo(3), two equivalent Ga(13), and two equivalent Ga(9) atoms. In the sixth Ga site, Ga(6) is bonded in a 6-coordinate geometry to two equivalent Mo(4), two equivalent Ga(10), and two equivalent Ga(12) atoms. In the seventh Ga site, Ga(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2) and two equivalent Ga(15) atoms. In the eighth Ga site, Ga(8) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent Ga(11), and two equivalent Ga(14) atoms. In the ninth Ga site, Ga(9) is bonded in a distorted linear geometry to two equivalent Mo(3), two equivalent Ga(14), two equivalent Ga(2), two equivalent Ga(5), and two equivalent Ga(9) atoms. In the tenth Ga site, Ga(10) is bonded in a distorted linear geometry to two equivalent Mo(4), two equivalent Ga(15), and two equivalent Ga(6) atoms. In the eleventh Ga site, Ga(11) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Ga(12), one Ga(13), and one Ga(8) atom. In the twelfth Ga site, Ga(12) is bonded in a 8-coordinate geometry to one Mo(1), one Mo(4), one Ga(11), one Ga(14), one Ga(15), one Ga(6), and two equivalent Ga(12) atoms. In the thirteenth Ga site, Ga(13) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(3), one Ga(11), one Ga(14), one Ga(15), one Ga(4), one Ga(5), and two equivalent Ga(13) atoms. In the fourteenth Ga site, Ga(14) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(3), one Ga(12), one Ga(13), one Ga(8), and one Ga(9) atom. In the fifteenth Ga site, Ga(15) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(4), one Ga(10), one Ga(12), one Ga(13), one Ga(7), and two equivalent Ga(15) atoms. S(1) is bonded in a square co-planar geometry to two equivalent Ga(2) and two equivalent Ga(4) atoms. is represented by the CIF card [CIF]
data_Ga40Mo8S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.638
_cell_length_b   9.638
_cell_length_c   18.490
_cell_angle_alpha   89.808
_cell_angle_beta   89.808
_cell_angle_gamma   32.189
_symmetry_Int_Tables_number   1
_cell_volume   915.002
_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  0.395  0.395  0.532  1.0
  Ga  Ga1  1  0.879  0.879  0.038  1.0
  Ga  Ga2  1  0.121  0.121  0.962  1.0
  Ga  Ga3  1  0.605  0.605  0.468  1.0
  Ga  Ga4  1  0.532  0.532  0.605  1.0
  Ga  Ga5  1  0.038  0.038  0.122  1.0
  Ga  Ga6  1  0.962  0.962  0.878  1.0
  Ga  Ga7  1  0.468  0.468  0.395  1.0
  Ga  Ga8  1  0.368  0.368  0.923  1.0
  Ga  Ga9  1  0.869  0.869  0.426  1.0
  Ga  Ga10  1  0.131  0.131  0.574  1.0
  Ga  Ga11  1  0.632  0.632  0.077  1.0
  Ga  Ga12  1  0.925  0.925  0.629  1.0
  Ga  Ga13  1  0.424  0.424  0.133  1.0
  Ga  Ga14  1  0.576  0.576  0.867  1.0
  Ga  Ga15  1  0.075  0.075  0.371  1.0
  Ga  Ga16  1  0.000  0.500  0.000  1.0
  Ga  Ga17  1  0.500  0.000  0.500  1.0
  Ga  Ga18  1  0.500  0.000  0.000  1.0
  Ga  Ga19  1  0.000  0.500  0.500  1.0
  Ga  Ga20  1  0.749  0.254  0.748  1.0
  Ga  Ga21  1  0.251  0.746  0.252  1.0
  Ga  Ga22  1  0.254  0.749  0.748  1.0
  Ga  Ga23  1  0.746  0.251  0.252  1.0
  Ga  Ga24  1  0.898  0.400  0.713  1.0
  Ga  Ga25  1  0.403  0.897  0.216  1.0
  Ga  Ga26  1  0.103  0.597  0.784  1.0
  Ga  Ga27  1  0.600  0.102  0.287  1.0
  Ga  Ga28  1  0.465  0.964  0.849  1.0
  Ga  Ga29  1  0.966  0.464  0.351  1.0
  Ga  Ga30  1  0.536  0.034  0.649  1.0
  Ga  Ga31  1  0.036  0.535  0.151  1.0
  Ga  Ga32  1  0.597  0.103  0.784  1.0
  Ga  Ga33  1  0.102  0.600  0.287  1.0
  Ga  Ga34  1  0.400  0.898  0.713  1.0
  Ga  Ga35  1  0.897  0.403  0.216  1.0
  Ga  Ga36  1  0.034  0.536  0.649  1.0
  Ga  Ga37  1  0.535  0.036  0.151  1.0
  Ga  Ga38  1  0.964  0.465  0.849  1.0
  Ga  Ga39  1  0.464  0.966  0.351  1.0
  Mo  Mo40  1  0.095  0.095  0.822  1.0
  Mo  Mo41  1  0.593  0.593  0.327  1.0
  Mo  Mo42  1  0.407  0.407  0.673  1.0
  Mo  Mo43  1  0.905  0.905  0.178  1.0
  Mo  Mo44  1  0.822  0.822  0.904  1.0
  Mo  Mo45  1  0.326  0.326  0.407  1.0
  Mo  Mo46  1  0.674  0.674  0.593  1.0
  Mo  Mo47  1  0.178  0.178  0.096  1.0
  S  S48  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Mo8Ga40S crystallizes in the monoclinic C2/m space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Ga(2), one Ga(4), two equivalent Ga(11), two equivalent Ga(12), two equivalent Ga(14), and two equivalent Ga(8) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(11), two equivalent Ga(13), two equivalent Ga(15), and two equivalent Ga(7) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Ga(2), one Ga(4), two equivalent Ga(13), two equivalent Ga(14), two equivalent Ga(5), and two equivalent Ga(9) atoms. In the fourth Mo site, Mo(4) is bonded in a 10-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(10), two equivalent Ga(12), two equivalent Ga(15), and two equivalent Ga(6) atoms. There are fifteen inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(4) atom. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), two equivalent Ga(9), and one S(1) atom. In the third Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(4) atom. In the fourth Ga site, Ga(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), two equivalent Ga(13), and one S(1) atom. In the fifth Ga site, Ga(5) is bonded in a 6-coordinate geometry to two equivalent Mo(3), two equivalent Ga(13), and two equivalent Ga(9) atoms. In the sixth Ga site, Ga(6) is bonded in a 6-coordinate geometry to two equivalent Mo(4), two equivalent Ga(10), and two equivalent Ga(12) atoms. In the seventh Ga site, Ga(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2) and two equivalent Ga(15) atoms. In the eighth Ga site, Ga(8) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent Ga(11), and two equivalent Ga(14) atoms. In the ninth Ga site, Ga(9) is bonded in a distorted linear geometry to two equivalent Mo(3), two equivalent Ga(14), two equivalent Ga(2), two equivalent Ga(5), and two equivalent Ga(9) atoms. In the tenth Ga site, Ga(10) is bonded in a distorted linear geometry to two equivalent Mo(4), two equivalent Ga(15), and two equivalent Ga(6) atoms. In the eleventh Ga site, Ga(11) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Ga(12), one Ga(13), and one Ga(8) atom. In the twelfth Ga site, Ga(12) is bonded in a 8-coordinate geometry to one Mo(1), one Mo(4), one Ga(11), one Ga(14), one Ga(15), one Ga(6), and two equivalent Ga(12) atoms. In the thirteenth Ga site, Ga(13) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(3), one Ga(11), one Ga(14), one Ga(15), one Ga(4), one Ga(5), and two equivalent Ga(13) atoms. In the fourteenth Ga site, Ga(14) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(3), one Ga(12), one Ga(13), one Ga(8), and one Ga(9) atom. In the fifteenth Ga site, Ga(15) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(4), one Ga(10), one Ga(12), one Ga(13), one Ga(7), and two equivalent Ga(15) atoms. S(1) is bonded in a square co-planar geometry to two equivalent Ga(2) and two equivalent Ga(4) atoms. is represented by the CIF card [CIF]
data_Ga40Mo8S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.638
_cell_length_b   9.638
_cell_length_c   18.490
_cell_angle_alpha   89.808
_cell_angle_beta   89.808
_cell_angle_gamma   32.189
_symmetry_Int_Tables_number   1
_cell_volume   915.002
_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  0.395  0.395  0.532  1.0
  Ga  Ga1  1  0.879  0.879  0.038  1.0
  Ga  Ga2  1  0.121  0.121  0.962  1.0
  Ga  Ga3  1  0.605  0.605  0.468  1.0
  Ga  Ga4  1  0.532  0.532  0.605  1.0
  Ga  Ga5  1  0.038  0.038  0.122  1.0
  Ga  Ga6  1  0.962  0.962  0.878  1.0
  Ga  Ga7  1  0.468  0.468  0.395  1.0
  Ga  Ga8  1  0.368  0.368  0.923  1.0
  Ga  Ga9  1  0.869  0.869  0.426  1.0
  Ga  Ga10  1  0.131  0.131  0.574  1.0
  Ga  Ga11  1  0.632  0.632  0.077  1.0
  Ga  Ga12  1  0.925  0.925  0.629  1.0
  Ga  Ga13  1  0.424  0.424  0.133  1.0
  Ga  Ga14  1  0.576  0.576  0.867  1.0
  Ga  Ga15  1  0.075  0.075  0.371  1.0
  Ga  Ga16  1  0.000  0.500  0.000  1.0
  Ga  Ga17  1  0.500  0.000  0.500  1.0
  Ga  Ga18  1  0.500  0.000  0.000  1.0
  Ga  Ga19  1  0.000  0.500  0.500  1.0
  Ga  Ga20  1  0.749  0.254  0.748  1.0
  Ga  Ga21  1  0.251  0.746  0.252  1.0
  Ga  Ga22  1  0.254  0.749  0.748  1.0
  Ga  Ga23  1  0.746  0.251  0.252  1.0
  Ga  Ga24  1  0.898  0.400  0.713  1.0
  Ga  Ga25  1  0.403  0.897  0.216  1.0
  Ga  Ga26  1  0.103  0.597  0.784  1.0
  Ga  Ga27  1  0.600  0.102  0.287  1.0
  Ga  Ga28  1  0.465  0.964  0.849  1.0
  Ga  Ga29  1  0.966  0.464  0.351  1.0
  Ga  Ga30  1  0.536  0.034  0.649  1.0
  Ga  Ga31  1  0.036  0.535  0.151  1.0
  Ga  Ga32  1  0.597  0.103  0.784  1.0
  Ga  Ga33  1  0.102  0.600  0.287  1.0
  Ga  Ga34  1  0.400  0.898  0.713  1.0
  Ga  Ga35  1  0.897  0.403  0.216  1.0
  Ga  Ga36  1  0.034  0.536  0.649  1.0
  Ga  Ga37  1  0.535  0.036  0.151  1.0
  Ga  Ga38  1  0.964  0.465  0.849  1.0
  Ga  Ga39  1  0.464  0.966  0.351  1.0
  Mo  Mo40  1  0.095  0.095  0.822  1.0
  Mo  Mo41  1  0.593  0.593  0.327  1.0
  Mo  Mo42  1  0.407  0.407  0.673  1.0
  Mo  Mo43  1  0.905  0.905  0.178  1.0
  Mo  Mo44  1  0.822  0.822  0.904  1.0
  Mo  Mo45  1  0.326  0.326  0.407  1.0
  Mo  Mo46  1  0.674  0.674  0.593  1.0
  Mo  Mo47  1  0.178  0.178  0.096  1.0
  S  S48  1  0.000  0.000  0.000  1.0
[/CIF]
.