data_LaTl4Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl4Pt
_chemical_formula_sum   'La1 Tl4 Pt1'
_cell_volume   166.88
_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  La0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.28  0.28  0.46  1.0
  Tl  Tl3  1  0.28  0.46  0.28  1.0
  Tl  Tl4  1  0.46  0.28  0.28  1.0
  Tl  Tl5  1  0.46  0.46  0.46  1.0
  Pt  Pt1  1  0.18  0.18  0.18  1.0

data_LaTl4Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   15.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTl4Pt
_chemical_formula_sum   'La3 Tl12 Pt3'
_cell_volume   500.63
_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
  Tl  Tl1  9  0.06  0.12  0.66  1.0
  Tl  Tl2  3  0.0  0.0  0.54  1.0
  Pt  Pt3  3  0.0  0.0  0.82  1.0

La Tl Tl Tl Tl Pt
LaPtTl4 crystallizes in the trigonal R3m space group. La(1) is bonded in a trigonal pyramidal geometry to one Pt(1) and three equivalent Tl(1) atoms. The La(1)-Pt(1) bond length is 2.80 Å. All La(1)-Tl(1) bond lengths are 2.94 Å. Pt(1) is bonded in a 4-coordinate geometry to one La(1) and three equivalent Tl(1) atoms. All Pt(1)-Tl(1) bond lengths are 2.44 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one La(1), one Pt(1), one Tl(2), and two equivalent Tl(1) atoms. The Tl(1)-Tl(2) bond length is 1.89 Å. Both Tl(1)-Tl(1) bond lengths are 1.09 Å. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to three equivalent Tl(1) atoms.