data_LaTaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaCo4
_chemical_formula_sum   'La1 Ta1 Co4'
_cell_volume   85.69
_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  La4  1  0.0  0.0  0.0  1.0
  Ta  Ta5  1  0.75  0.75  0.75  1.0
  Co  Co0  1  0.63  0.63  0.37  1.0
  Co  Co1  1  0.37  0.37  0.37  1.0
  Co  Co2  1  0.63  0.37  0.63  1.0
  Co  Co3  1  0.37  0.63  0.63  1.0

data_LaTaCo4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   12.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTaCo4
_chemical_formula_sum   'La3 Ta3 Co12'
_cell_volume   257.07
_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  0.0  1.0
  Ta  Ta1  3  0.0  0.0  0.25  1.0
  Co  Co2  9  0.18  0.09  0.46  1.0
  Co  Co3  3  0.0  0.0  0.63  1.0

La Ta Co Co Co Co
LaTaCo4 crystallizes in the trigonal R3m space group. La(1) is bonded in a 6-coordinate geometry to four equivalent Ta(1), three equivalent Co(1), and three equivalent Co(2) atoms. There are three shorter (3.03 Å) and one longer (3.04 Å) La(1)-Ta(1) bond length. All La(1)-Co(1) bond lengths are 2.58 Å. All La(1)-Co(2) bond lengths are 2.89 Å. Ta(1) is bonded in a 13-coordinate geometry to four equivalent La(1), three equivalent Co(2), and six equivalent Co(1) atoms. All Ta(1)-Co(2) bond lengths are 2.92 Å. All Ta(1)-Co(1) bond lengths are 2.61 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one La(1), two equivalent Ta(1), one Co(2), and two equivalent Co(1) atoms. The Co(1)-Co(2) bond length is 2.26 Å. Both Co(1)-Co(1) bond lengths are 1.30 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Ta(1), and three equivalent Co(1) atoms.