data_TlPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPRu
_chemical_formula_sum   'Tl1 P1 Ru1'
_cell_volume   65.03
_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
  Tl  Tl2  1  0.6  0.6  0.6  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.19  0.19  0.19  1.0

data_TlPRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlPRu
_chemical_formula_sum   'Tl3 P3 Ru3'
_cell_volume   195.1
_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
  Tl  Tl0  3  0.0  0.0  0.4  1.0
  P  P1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.81  1.0

Tl P Ru
RuTlP crystallizes in the trigonal R3m space group. Ru(1) is bonded to three equivalent Tl(1) and one P(1) atom to form distorted RuTl3P tetrahedra that share corners with three equivalent P(1)Tl3Ru tetrahedra, corners with six equivalent Ru(1)Tl3P tetrahedra, and edges with three equivalent P(1)Tl3Ru tetrahedra. All Ru(1)-Tl(1) bond lengths are 2.72 Å. The Ru(1)-P(1) bond length is 2.12 Å. Tl(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ru(1) and three equivalent P(1) atoms. All Tl(1)-P(1) bond lengths are 2.72 Å. P(1) is bonded to one Ru(1) and three equivalent Tl(1) atoms to form distorted PTl3Ru tetrahedra that share corners with three equivalent Ru(1)Tl3P tetrahedra, corners with six equivalent P(1)Tl3Ru tetrahedra, and edges with three equivalent Ru(1)Tl3P tetrahedra.