data_Eu2TmIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2TmIr
_chemical_formula_sum   'Eu2 Tm1 Ir1'
_cell_volume   96.82
_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
  Eu  Eu0  1  0.82  0.82  0.82  1.0
  Eu  Eu1  1  0.47  0.47  0.47  1.0
  Tm  Tm3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.64  0.64  0.64  1.0

data_Eu2TmIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Eu2TmIr
_chemical_formula_sum   'Eu6 Tm3 Ir3'
_cell_volume   290.45
_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
  Eu  Eu0  3  0.0  0.0  0.18  1.0
  Eu  Eu1  3  0.0  0.0  0.53  1.0
  Tm  Tm2  3  0.0  0.0  0.0  1.0
  Ir  Ir3  3  0.0  0.0  0.36  1.0

Eu Eu Tm Ir
Eu Eu Tm Ir 0 3 o o o 0 2 + + + 1 3 o o o 
TmEu2Ir crystallizes in the trigonal R3m space group. Tm(1) is bonded to one Eu(1) and three equivalent Ir(1) atoms to form distorted corner-sharing TmEuIr3 trigonal pyramids. The Tm(1)-Eu(1) bond length is 2.24 Å. All Tm(1)-Ir(1) bond lengths are 2.99 Å. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a distorted single-bond geometry to one Tm(1) and one Ir(1) atom. The Eu(1)-Ir(1) bond length is 2.24 Å. In the second Eu site, Eu(2) is bonded in a single-bond geometry to one Ir(1) atom. The Eu(2)-Ir(1) bond length is 2.24 Å. Ir(1) is bonded in a distorted linear geometry to three equivalent Tm(1), one Eu(1), and one Eu(2) atom.