data_TaMnPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnPt4
_chemical_formula_sum   'Ta1 Mn1 Pt4'
_cell_volume   97.78
_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
  Ta  Ta5  1  0.48  0.48  0.48  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.57  0.57  0.74  1.0
  Pt  Pt2  1  0.57  0.74  0.57  1.0
  Pt  Pt3  1  0.74  0.57  0.57  1.0
  Pt  Pt4  1  0.74  0.74  0.74  1.0

data_TaMnPt4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaMnPt4
_chemical_formula_sum   'Ta3 Mn3 Pt12'
_cell_volume   293.34
_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
  Ta  Ta0  3  0.0  0.0  0.52  1.0
  Mn  Mn1  3  0.0  0.0  -0.0  1.0
  Pt  Pt2  9  0.05  0.11  0.37  1.0
  Pt  Pt3  3  0.0  0.0  0.26  1.0

Ta Mn Pt Pt Pt Pt
TaMnPt4 crystallizes in the trigonal R3m space group. Ta(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1), three equivalent Pt(1), and three equivalent Pt(2) atoms. All Ta(1)-Mn(1) bond lengths are 3.55 Å. All Ta(1)-Pt(1) bond lengths are 1.89 Å. All Ta(1)-Pt(2) bond lengths are 3.15 Å. Mn(1) is bonded in a 13-coordinate geometry to three equivalent Ta(1), four equivalent Pt(2), and six equivalent Pt(1) atoms. There are three shorter (3.12 Å) and one longer (3.31 Å) Mn(1)-Pt(2) bond length. All Mn(1)-Pt(1) bond lengths are 2.81 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a 10-coordinate geometry to three equivalent Ta(1), four equivalent Mn(1), and three equivalent Pt(1) atoms. All Pt(2)-Pt(1) bond lengths are 1.47 Å. In the second Pt site, Pt(1) is bonded in a 2-coordinate geometry to one Ta(1), two equivalent Mn(1), one Pt(2), and two equivalent Pt(1) atoms. Both Pt(1)-Pt(1) bond lengths are 0.85 Å.