data_Ho(SiAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   138.1
_cell_angle_beta   138.1
_cell_angle_gamma   60.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho(SiAu)2
_chemical_formula_sum   'Ho1 Si2 Au2'
_cell_volume   93.14
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.99  1.0
  Si  Si2  1  0.0  0.0  0.28  1.0
  Au  Au3  1  0.13  0.0  0.57  1.0
  Au  Au4  1  0.0  0.13  0.57  1.0

data_Ho(SiAu)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   120.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ho(SiAu)2
_chemical_formula_sum   'Ho2 Si4 Au4'
_cell_volume   186.27
_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
  Ho  Ho0  2  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.28  1.0
  Si  Si2  2  0.0  0.0  0.99  1.0
  Au  Au3  4  0.44  0.44  0.44  1.0

Ho Si Si Au Au
Ho Si Si Au Au 0 1 o o - 2 4 o o o 2 3 o o o 3 4 o o o 