data_Hf2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AuSe
_chemical_formula_sum   'Hf2 Au1 Se1'
_cell_volume   77.11
_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
  Hf  Hf1  1  0.0  0.45  0.61  1.0
  Hf  Hf2  1  0.45  0.0  0.61  1.0
  Au  Au0  1  0.45  0.45  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Hf2AuSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2AuSe
_chemical_formula_sum   'Hf4 Au2 Se2'
_cell_volume   154.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  4  0.22  0.22  0.61  1.0
  Au  Au1  2  0.45  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Hf Hf Au Se
Hf Hf Au Se 0 2 - o o 0 2 - o + 0 2 o o o 0 2 o o + 0 3 o o o 0 3 o o + 0 3 o + o 0 3 o + + 0 1 o o o 0 0 o o + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 2 o - o 1 2 o - + 1 2 o o o 1 2 o o + 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
Hf2AuSe crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Se(1) atoms. There are a spread of Hf(1)-Au(1) bond distances ranging from 2.54-3.33 Å. There are a spread of Hf(1)-Se(1) bond distances ranging from 2.54-3.33 Å. Au(1) is bonded in a 8-coordinate geometry to eight equivalent Hf(1) atoms. Se(1) is bonded in a 8-coordinate geometry to eight equivalent Hf(1) atoms.