data_GdTm2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdTm2As
_chemical_formula_sum   'Gd1 Tm2 As1'
_cell_volume   100.43
_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
  Gd  Gd1  1  0.69  0.69  0.69  1.0
  Tm  Tm2  1  0.53  0.53  0.53  1.0
  Tm  Tm3  1  0.84  0.84  0.84  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_GdTm2As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GdTm2As
_chemical_formula_sum   'Gd3 Tm6 As3'
_cell_volume   301.29
_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
  Gd  Gd0  3  0.0  0.0  0.31  1.0
  Tm  Tm1  3  0.0  0.0  0.16  1.0
  Tm  Tm2  3  0.0  0.0  0.47  1.0
  As  As3  3  0.0  0.0  0.0  1.0

Gd Tm Tm As
Tm2GdAs crystallizes in the trigonal R3m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a single-bond geometry to one Gd(1) atom. The Tm(1)-Gd(1) bond length is 1.99 Å. In the second Tm site, Tm(2) is bonded in a distorted linear geometry to one Gd(1) and one As(1) atom. The Tm(2)-Gd(1) bond length is 1.99 Å. The Tm(2)-As(1) bond length is 1.99 Å. Gd(1) is bonded to one Tm(1), one Tm(2), and three equivalent As(1) atoms to form corner-sharing GdTm2As3 trigonal bipyramids. All Gd(1)-As(1) bond lengths are 3.03 Å. As(1) is bonded in a distorted single-bond geometry to one Tm(2) and three equivalent Gd(1) atoms.