data_ZrTe4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe4Rh
_chemical_formula_sum   'Zr1 Te4 Rh1'
_cell_volume   157.91
_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
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.22  0.22  0.36  1.0
  Te  Te2  1  0.22  0.36  0.22  1.0
  Te  Te3  1  0.36  0.22  0.22  1.0
  Te  Te4  1  0.36  0.36  0.36  1.0
  Rh  Rh0  1  0.15  0.15  0.15  1.0

data_ZrTe4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   14.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrTe4Rh
_chemical_formula_sum   'Zr3 Te12 Rh3'
_cell_volume   473.74
_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
  Zr  Zr0  3  0.0  0.0  0.0  1.0
  Te  Te1  9  0.05  0.09  0.73  1.0
  Te  Te2  3  0.0  0.0  0.64  1.0
  Rh  Rh3  3  0.0  0.0  0.85  1.0

Zr Te Te Te Te Rh
Zr Te Te Te Te Rh 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
ZrRhTe4 crystallizes in the trigonal R3m space group. Zr(1) is bonded in a distorted single-bond geometry to one Rh(1), three equivalent Te(1), and three equivalent Te(2) atoms. The Zr(1)-Rh(1) bond length is 2.16 Å. All Zr(1)-Te(1) bond lengths are 3.18 Å. All Zr(1)-Te(2) bond lengths are 3.52 Å. Rh(1) is bonded in a distorted single-bond geometry to one Zr(1) and three equivalent Te(1) atoms. All Rh(1)-Te(1) bond lengths are 1.88 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Zr(1), one Rh(1), one Te(2), and two equivalent Te(1) atoms. The Te(1)-Te(2) bond length is 1.44 Å. Both Te(1)-Te(1) bond lengths are 0.83 Å. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Te(1) atoms.