data_HoMg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMg2In
_chemical_formula_sum   'Ho1 Mg2 In1'
_cell_volume   93.57
_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
  Ho  Ho0  1  0.6  0.6  0.6  1.0
  Mg  Mg2  1  0.8  0.8  0.8  1.0
  Mg  Mg3  1  0.41  0.41  0.41  1.0
  In  In1  1  0.0  0.0  0.0  1.0

data_HoMg2In
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HoMg2In
_chemical_formula_sum   'Ho3 Mg6 In3'
_cell_volume   280.72
_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
  Ho  Ho0  3  0.0  0.0  0.4  1.0
  Mg  Mg1  3  0.0  0.0  0.2  1.0
  Mg  Mg2  3  0.0  0.0  0.59  1.0
  In  In3  3  0.0  0.0  -0.0  1.0

Ho Mg Mg In
Mg2HoIn crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to one Ho(1) and one In(1) atom. The Mg(1)-Ho(1) bond length is 2.48 Å. The Mg(1)-In(1) bond length is 2.48 Å. In the second Mg site, Mg(2) is bonded to one Ho(1) and three equivalent In(1) atoms to form distorted corner-sharing MgHoIn3 tetrahedra. The Mg(2)-Ho(1) bond length is 2.48 Å. All Mg(2)-In(1) bond lengths are 3.08 Å. Ho(1) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), and three equivalent In(1) atoms. All Ho(1)-In(1) bond lengths are 3.05 Å. In(1) is bonded in a 1-coordinate geometry to one Mg(1), three equivalent Mg(2), and three equivalent Ho(1) atoms.