data_PmHo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmHo2Ru
_chemical_formula_sum   'Pm1 Ho2 Ru1'
_cell_volume   95.29
_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
  Pm  Pm2  1  0.63  0.63  0.63  1.0
  Ho  Ho0  1  0.81  0.81  0.81  1.0
  Ho  Ho1  1  0.44  0.44  0.44  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_PmHo2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PmHo2Ru
_chemical_formula_sum   'Pm3 Ho6 Ru3'
_cell_volume   285.87
_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
  Pm  Pm0  3  0.0  0.0  0.37  1.0
  Ho  Ho1  3  0.0  0.0  0.19  1.0
  Ho  Ho2  3  0.0  0.0  0.56  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

Pm Ho Ho Ru
Pm Ho Ho Ru 0 2 o o o 0 1 o o o 0 3 + + o 0 3 + o + 0 3 o + + 1 3 + + + 1 2 + o o 1 2 o + o 1 2 o o + 2 3 o o + 2 3 o + o 2 3 + o o 
Ho2PmRu crystallizes in the trigonal R3m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a distorted linear geometry to one Pm(1) and one Ru(1) atom. The Ho(1)-Pm(1) bond length is 2.35 Å. The Ho(1)-Ru(1) bond length is 2.35 Å. In the second Ho site, Ho(2) is bonded in a 4-coordinate geometry to one Pm(1) and three equivalent Ru(1) atoms. The Ho(2)-Pm(1) bond length is 2.35 Å. All Ho(2)-Ru(1) bond lengths are 3.24 Å. Pm(1) is bonded to one Ho(1), one Ho(2), and three equivalent Ru(1) atoms to form distorted corner-sharing PmHo2Ru3 trigonal bipyramids. All Pm(1)-Ru(1) bond lengths are 3.01 Å. Ru(1) is bonded in a 1-coordinate geometry to one Ho(1), three equivalent Ho(2), and three equivalent Pm(1) atoms.