data_YbTm2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbTm2As
_chemical_formula_sum   'Yb1 Tm2 As1'
_cell_volume   99.41
_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
  Yb  Yb3  1  0.68  0.68  0.68  1.0
  Tm  Tm1  1  0.52  0.52  0.52  1.0
  Tm  Tm2  1  0.84  0.84  0.84  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YbTm2As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YbTm2As
_chemical_formula_sum   'Yb3 Tm6 As3'
_cell_volume   298.22
_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
  Yb  Yb0  3  0.0  0.0  0.32  1.0
  Tm  Tm1  3  0.0  0.0  0.16  1.0
  Tm  Tm2  3  0.0  0.0  0.48  1.0
  As  As3  3  0.0  0.0  0.0  1.0

Yb Tm Tm As
YbTm2As crystallizes in the trigonal R3m space group. Yb(1) is bonded to one Tm(1), one Tm(2), and three equivalent As(1) atoms to form YbTm2As3 trigonal bipyramids that share corners with six equivalent Yb(1)Tm2As3 trigonal bipyramids and  a cornercorner with one As(1)Yb3Tm trigonal pyramid. The Yb(1)-Tm(1) bond length is 2.06 Å. The Yb(1)-Tm(2) bond length is 2.06 Å. All Yb(1)-As(1) bond lengths are 3.00 Å. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a single-bond geometry to one Yb(1) atom. In the second Tm site, Tm(2) is bonded in a linear geometry to one Yb(1) and one As(1) atom. The Tm(2)-As(1) bond length is 2.06 Å. As(1) is bonded to three equivalent Yb(1) and one Tm(2) atom to form distorted AsYb3Tm trigonal pyramids that share  a cornercorner with one Yb(1)Tm2As3 trigonal bipyramid and corners with six equivalent As(1)Yb3Tm trigonal pyramids.