data_LaGaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaCo
_chemical_formula_sum   'La1 Ga1 Co1'
_cell_volume   71.15
_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
  La  La2  1  0.29  0.29  0.29  1.0
  Ga  Ga1  1  0.64  0.64  0.64  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_LaGaCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaGaCo
_chemical_formula_sum   'La3 Ga3 Co3'
_cell_volume   213.44
_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
  La  La0  3  0.0  0.0  0.71  1.0
  Ga  Ga1  3  0.0  0.0  0.36  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0

La Ga Co
La Ga Co 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o + + 1 2 + o + 1 2 + + o 
LaCoGa crystallizes in the trigonal R3m space group. La(1) is bonded to four equivalent Co(1) and three equivalent Ga(1) atoms to form LaGa3Co4 hexagonal pyramids that share corners with three equivalent Co(1)La4Ga3 hexagonal pyramids, corners with six equivalent La(1)Ga3Co4 hexagonal pyramids, edges with three equivalent Co(1)La4Ga3 hexagonal pyramids, and edges with six equivalent La(1)Ga3Co4 hexagonal pyramids. There are three shorter (2.73 Å) and one longer (3.29 Å) La(1)-Co(1) bond length. All La(1)-Ga(1) bond lengths are 2.70 Å. Co(1) is bonded to four equivalent La(1) and three equivalent Ga(1) atoms to form CoLa4Ga3 hexagonal pyramids that share corners with three equivalent La(1)Ga3Co4 hexagonal pyramids, corners with six equivalent Co(1)La4Ga3 hexagonal pyramids, edges with three equivalent La(1)Ga3Co4 hexagonal pyramids, and edges with six equivalent Co(1)La4Ga3 hexagonal pyramids. All Co(1)-Ga(1) bond lengths are 2.70 Å. Ga(1) is bonded in a distorted hexagonal planar geometry to three equivalent La(1) and three equivalent Co(1) atoms.