data_LaCoBiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoBiAu
_chemical_formula_sum   'La1 Co1 Bi1 Au1'
_cell_volume   94.78
_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  La3  1  0.62  0.62  0.62  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.81  0.81  0.81  1.0
  Au  Au0  1  0.43  0.43  0.43  1.0

data_LaCoBiAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCoBiAu
_chemical_formula_sum   'La3 Co3 Bi3 Au3'
_cell_volume   284.34
_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  0.38  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.19  1.0
  Au  Au3  3  0.0  0.0  0.57  1.0

La Co Bi Au
La Co Bi Au 0 3 o o o 0 2 o o o 0 1 + + o 0 1 + o + 0 1 o + + 1 2 - - - 1 3 - o o 1 3 o - o 1 3 o o - 2 3 + o o 2 3 o + o 2 3 o o + 
LaCoAuBi crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted linear geometry to three equivalent Co(1), one Au(1), and one Bi(1) atom. All La(1)-Co(1) bond lengths are 3.02 Å. The La(1)-Au(1) bond length is 2.39 Å. The La(1)-Bi(1) bond length is 2.39 Å. Co(1) is bonded in a 7-coordinate geometry to three equivalent La(1), three equivalent Au(1), and one Bi(1) atom. All Co(1)-Au(1) bond lengths are 3.18 Å. The Co(1)-Bi(1) bond length is 2.39 Å. Au(1) is bonded in a distorted single-bond geometry to one La(1), three equivalent Co(1), and three equivalent Bi(1) atoms. All Au(1)-Bi(1) bond lengths are 3.02 Å. Bi(1) is bonded in a 5-coordinate geometry to one La(1), one Co(1), and three equivalent Au(1) atoms.