data_Ho2Si4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.91
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Si4Mo3
_chemical_formula_sum   'Ho4 Si8 Mo6'
_cell_volume   301.57
_cell_formula_units_Z   2
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  0.59  0.63  0.39  1.0
  Ho  Ho1  1  0.16  0.17  0.79  1.0
  Ho  Ho2  1  0.5  0.74  0.58  1.0
  Ho  Ho3  1  0.06  0.28  0.98  1.0
  Si  Si10  1  0.54  0.55  0.82  1.0
  Si  Si11  1  0.52  0.6  0.84  1.0
  Si  Si12  1  0.23  0.15  0.34  1.0
  Si  Si13  1  0.21  0.0  0.37  1.0
  Si  Si14  1  0.44  0.91  0.01  1.0
  Si  Si15  1  0.42  0.76  0.03  1.0
  Si  Si16  1  0.14  0.31  0.53  1.0
  Si  Si17  1  0.12  0.37  0.56  1.0
  Mo  Mo4  1  0.0  0.0  0.0  1.0
  Mo  Mo5  1  0.58  0.12  0.59  1.0
  Mo  Mo6  1  0.17  0.58  0.6  1.0
  Mo  Mo7  1  0.9  0.46  0.19  1.0
  Mo  Mo8  1  0.49  0.33  0.77  1.0
  Mo  Mo9  1  0.07  0.79  0.79  1.0

data_Ho2Si4Mo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.74
_cell_length_b   6.85
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Si4Mo3
_chemical_formula_sum   'Ho4 Si8 Mo6'
_cell_volume   301.57
_cell_formula_units_Z   2
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  0.39  0.59  0.63  1.0
  Ho  Ho1  1  0.58  0.5  0.74  1.0
  Ho  Ho2  1  0.79  0.16  0.17  1.0
  Ho  Ho3  1  0.98  0.06  0.28  1.0
  Si  Si4  1  0.01  0.44  0.91  1.0
  Si  Si5  1  0.03  0.42  0.76  1.0
  Si  Si6  1  0.34  0.23  0.15  1.0
  Si  Si7  1  0.37  0.21  0.0  1.0
  Si  Si8  1  0.53  0.14  0.31  1.0
  Si  Si9  1  0.56  0.12  0.37  1.0
  Si  Si10  1  0.82  0.54  0.55  1.0
  Si  Si11  1  0.84  0.52  0.6  1.0
  Mo  Mo12  1  0.0  0.0  0.0  1.0
  Mo  Mo13  1  0.19  0.9  0.46  1.0
  Mo  Mo14  1  0.59  0.58  0.12  1.0
  Mo  Mo15  1  0.6  0.17  0.58  1.0
  Mo  Mo16  1  0.77  0.49  0.33  1.0
  Mo  Mo17  1  0.79  0.07  0.79  1.0

Ho Ho Ho Ho Si Si Si Si Si Si Si Si Mo Mo Mo Mo Mo Mo
Ho2Mo3Si4 crystallizes in the triclinic P1 space group. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 3-coordinate geometry to one Ho(3), one Mo(4), one Mo(6), and one Si(6) atom. The Ho(1)-Ho(3) bond length is 1.77 Å. The Ho(1)-Mo(4) bond length is 3.13 Å. The Ho(1)-Mo(6) bond length is 3.65 Å. The Ho(1)-Si(6) bond length is 2.51 Å. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to one Ho(4), one Mo(1), one Mo(5), one Mo(6), one Si(5), one Si(7), and one Si(8) atom. The Ho(2)-Ho(4) bond length is 1.77 Å. The Ho(2)-Mo(1) bond length is 2.34 Å. The Ho(2)-Mo(5) bond length is 2.55 Å. The Ho(2)-Mo(6) bond length is 2.74 Å. The Ho(2)-Si(5) bond length is 2.70 Å. The Ho(2)-Si(7) bond length is 1.97 Å. The Ho(2)-Si(8) bond length is 2.03 Å. In the third Ho site, Ho(3) is bonded in a 6-coordinate geometry to one Ho(1), one Mo(2), one Mo(3), one Mo(6), one Si(1), one Si(2), and one Si(4) atom. The Ho(3)-Mo(2) bond length is 2.74 Å. The Ho(3)-Mo(3) bond length is 2.55 Å. The Ho(3)-Mo(6) bond length is 3.73 Å. The Ho(3)-Si(1) bond length is 2.03 Å. The Ho(3)-Si(2) bond length is 1.97 Å. The Ho(3)-Si(4) bond length is 2.70 Å. In the fourth Ho site, Ho(4) is bonded in a 4-coordinate geometry to one Ho(2), one Mo(1), one Mo(4), one Mo(6), and one Si(3) atom. The Ho(4)-Mo(1) bond length is 2.00 Å. The Ho(4)-Mo(4) bond length is 2.34 Å. The Ho(4)-Mo(6) bond length is 3.73 Å. The Ho(4)-Si(3) bond length is 2.51 Å. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 1-coordinate geometry to one Ho(2), one Ho(4), and one Mo(6) atom. The Mo(1)-Mo(6) bond length is 2.22 Å. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Ho(3), one Mo(5), and one Si(3) atom. The Mo(2)-Mo(5) bond length is 2.15 Å. The Mo(2)-Si(3) bond length is 2.44 Å. In the third Mo site, Mo(3) is bonded in a distorted single-bond geometry to one Ho(3), one Mo(6), and one Si(8) atom. The Mo(3)-Mo(6) bond length is 2.15 Å. The Mo(3)-Si(8) bond length is 1.52 Å. In the fourth Mo site, Mo(4) is bonded in a 1-coordinate geometry to one Ho(1) and one Ho(4) atom. In the fifth Mo site, Mo(5) is bonded in a distorted single-bond geometry to one Ho(2), one Mo(2), and one Si(1) atom. The Mo(5)-Si(1) bond length is 1.52 Å. In the sixth Mo site, Mo(6) is bonded in a 8-coordinate geometry to one Ho(1), one Ho(2), one Ho(3), one Ho(4), one Mo(1), one Mo(3), one Si(5), and one Si(6) atom. The Mo(6)-Si(5) bond length is 2.62 Å. The Mo(6)-Si(6) bond length is 2.44 Å. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted bent 150 degrees geometry to one Ho(3), one Mo(5), and one Si(2) atom. The Si(1)-Si(2) bond length is 0.48 Å. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to one Ho(3), one Si(1), and one Si(6) atom. The Si(2)-Si(6) bond length is 1.94 Å. In the third Si site, Si(3) is bonded in a 1-coordinate geometry to one Ho(4), one Mo(2), and one Si(4) atom. The Si(3)-Si(4) bond length is 1.06 Å. In the fourth Si site, Si(4) is bonded in a 1-coordinate geometry to one Ho(3) and one Si(3) atom. In the fifth Si site, Si(5) is bonded in a 2-coordinate geometry to one Ho(2), one Mo(6), and one Si(6) atom. The Si(5)-Si(6) bond length is 1.06 Å. In the sixth Si site, Si(6) is bonded in a 4-coordinate geometry to one Ho(1), one Mo(6), one Si(2), and one Si(5) atom. In the seventh Si site, Si(7) is bonded in a distorted single-bond geometry to one Ho(2) and one Si(8) atom. The Si(7)-Si(8) bond length is 0.48 Å. In the eighth Si site, Si(8) is bonded in a distorted bent 150 degrees geometry to one Ho(2), one Mo(3), and one Si(7) atom.