data_LiScGaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScGaMo
_chemical_formula_sum   'Li1 Sc1 Ga1 Mo1'
_cell_volume   68.61
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.25  0.25  0.25  1.0
  Ga  Ga0  1  0.87  0.87  0.87  1.0
  Mo  Mo2  1  0.62  0.62  0.62  1.0

data_LiScGaMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiScGaMo
_chemical_formula_sum   'Li3 Sc3 Ga3 Mo3'
_cell_volume   205.82
_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
  Li  Li0  3  0.0  0.0  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.75  1.0
  Ga  Ga2  3  0.0  0.0  0.13  1.0
  Mo  Mo3  3  0.0  0.0  0.38  1.0

Li Sc Ga Mo
LiScMoGa crystallizes in the trigonal R3m space group. Li(1) is bonded in a single-bond geometry to four equivalent Sc(1), three equivalent Mo(1), and one Ga(1) atom. There is one shorter (2.81 Å) and three longer (2.82 Å) Li(1)-Sc(1) bond lengths. All Li(1)-Mo(1) bond lengths are 2.69 Å. The Li(1)-Ga(1) bond length is 1.42 Å. Sc(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), three equivalent Mo(1), and three equivalent Ga(1) atoms. All Sc(1)-Mo(1) bond lengths are 2.69 Å. All Sc(1)-Ga(1) bond lengths are 2.69 Å. Mo(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Sc(1), and four equivalent Ga(1) atoms. There is one shorter (2.81 Å) and three longer (2.82 Å) Mo(1)-Ga(1) bond lengths. Ga(1) is bonded in a single-bond geometry to one Li(1), three equivalent Sc(1), and four equivalent Mo(1) atoms.