data_Sr4TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4TlPt
_chemical_formula_sum   'Sr4 Tl1 Pt1'
_cell_volume   220.3
_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
  Sr  Sr1  1  1.0  1.0  0.59  1.0
  Sr  Sr2  1  1.0  0.59  1.0  1.0
  Sr  Sr3  1  0.59  1.0  1.0  1.0
  Sr  Sr4  1  0.59  0.59  0.59  1.0
  Tl  Tl5  1  0.19  0.19  0.19  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_Sr4TlPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   16.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4TlPt
_chemical_formula_sum   'Sr12 Tl3 Pt3'
_cell_volume   660.9
_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
  Sr  Sr0  9  0.2  0.39  0.8  1.0
  Sr  Sr1  3  0.0  0.0  0.41  1.0
  Tl  Tl2  3  0.0  0.0  0.81  1.0
  Pt  Pt3  3  0.0  0.0  1.0  1.0

Sr Sr Sr Sr Tl Pt
Sr4PtTl crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(2), one Pt(1), and one Tl(1) atom. Both Sr(1)-Sr(2) bond lengths are 3.55 Å. The Sr(1)-Pt(1) bond length is 2.80 Å. The Sr(1)-Tl(1) bond length is 2.31 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent Sr(1) atoms. Pt(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Tl(1) atom. The Pt(1)-Tl(1) bond length is 3.16 Å. Tl(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent Sr(1) and one Pt(1) atom.