data_CaLaNbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaNbGa
_chemical_formula_sum   'Ca1 La1 Nb1 Ga1'
_cell_volume   100.08
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La2  1  0.84  0.84  0.84  1.0
  Nb  Nb3  1  0.68  0.68  0.68  1.0
  Ga  Ga1  1  0.53  0.53  0.53  1.0

data_CaLaNbGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaLaNbGa
_chemical_formula_sum   'Ca3 La3 Nb3 Ga3'
_cell_volume   300.23
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.16  1.0
  Nb  Nb2  3  0.0  0.0  0.32  1.0
  Ga  Ga3  3  0.0  0.0  0.47  1.0

Ca La Nb Ga
CaLaNbGa crystallizes in the trigonal R3m space group. Ca(1) is bonded to one La(1) and three equivalent Nb(1) atoms to form CaLaNb3 trigonal pyramids that share  a cornercorner with one Nb(1)Ca3LaGa trigonal bipyramid, corners with three equivalent La(1)CaNbGa3 trigonal bipyramids, corners with six equivalent Ca(1)LaNb3 trigonal pyramids, and edges with three equivalent Ga(1)La3Nb trigonal pyramids. The Ca(1)-La(1) bond length is 2.01 Å. All Ca(1)-Nb(1) bond lengths are 3.02 Å. La(1) is bonded to one Ca(1), one Nb(1), and three equivalent Ga(1) atoms to form distorted LaCaNbGa3 trigonal bipyramids that share corners with six equivalent La(1)CaNbGa3 trigonal bipyramids,  a cornercorner with one Ga(1)La3Nb trigonal pyramid, corners with three equivalent Ca(1)LaNb3 trigonal pyramids, and edges with three equivalent Nb(1)Ca3LaGa trigonal bipyramids. The La(1)-Nb(1) bond length is 2.01 Å. All La(1)-Ga(1) bond lengths are 3.02 Å. Nb(1) is bonded to three equivalent Ca(1), one La(1), and one Ga(1) atom to form distorted NbCa3LaGa trigonal bipyramids that share corners with six equivalent Nb(1)Ca3LaGa trigonal bipyramids,  a cornercorner with one Ca(1)LaNb3 trigonal pyramid, corners with three equivalent Ga(1)La3Nb trigonal pyramids, and edges with three equivalent La(1)CaNbGa3 trigonal bipyramids. The Nb(1)-Ga(1) bond length is 2.01 Å. Ga(1) is bonded to three equivalent La(1) and one Nb(1) atom to form distorted GaLa3Nb trigonal pyramids that share  a cornercorner with one La(1)CaNbGa3 trigonal bipyramid, corners with three equivalent Nb(1)Ca3LaGa trigonal bipyramids, corners with six equivalent Ga(1)La3Nb trigonal pyramids, and edges with three equivalent Ca(1)LaNb3 trigonal pyramids.