data_ThCo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCo2Pt
_chemical_formula_sum   'Th1 Co2 Pt1'
_cell_volume   64.02
_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
  Th  Th3  1  0.18  0.18  0.18  1.0
  Co  Co0  1  0.59  0.59  0.59  1.0
  Co  Co1  1  0.76  0.76  0.76  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_ThCo2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ThCo2Pt
_chemical_formula_sum   'Th3 Co6 Pt3'
_cell_volume   192.07
_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
  Th  Th0  3  0.0  0.0  0.82  1.0
  Co  Co1  3  0.0  0.0  0.24  1.0
  Co  Co2  3  0.0  0.0  0.41  1.0
  Pt  Pt3  3  0.0  0.0  0.0  1.0

Th Co Co Pt
ThCo2Pt crystallizes in the trigonal R3m space group. Th(1) is bonded in a distorted single-bond geometry to three equivalent Co(1), three equivalent Co(2), and one Pt(1) atom. All Th(1)-Co(1) bond lengths are 2.73 Å. All Th(1)-Co(2) bond lengths are 2.73 Å. The Th(1)-Pt(1) bond length is 1.93 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to three equivalent Th(1), one Co(2), and three equivalent Pt(1) atoms. The Co(1)-Co(2) bond length is 1.93 Å. All Co(1)-Pt(1) bond lengths are 2.73 Å. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to three equivalent Th(1), one Co(1), and four equivalent Pt(1) atoms. There is one shorter (2.61 Å) and three longer (2.80 Å) Co(2)-Pt(1) bond lengths. Pt(1) is bonded in a distorted single-bond geometry to one Th(1), three equivalent Co(1), and four equivalent Co(2) atoms.