data_HoGaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   7.09
_cell_angle_alpha   127.58
_cell_angle_beta   127.58
_cell_angle_gamma   46.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoGaAu
_chemical_formula_sum   'Ho2 Ga2 Au2'
_cell_volume   124.93
_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  0.22  0.0  0.57  1.0
  Ho  Ho1  1  0.52  0.0  0.73  1.0
  Ga  Ga2  1  0.59  0.0  0.72  1.0
  Ga  Ga3  1  0.15  0.0  0.58  1.0
  Au  Au4  1  0.46  0.0  0.81  1.0
  Au  Au5  1  0.27  0.0  0.49  1.0

data_HoGaAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.51
_cell_length_b   5.69
_cell_length_c   5.78
_cell_angle_alpha   76.37
_cell_angle_beta   67.03
_cell_angle_gamma   66.63
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoGaAu
_chemical_formula_sum   'Ho2 Ga2 Au2'
_cell_volume   124.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.43  0.42  1.0
  Ga  Ga1  2  0.0  0.35  0.43  1.0
  Au  Au2  2  0.0  0.44  0.66  1.0

Ho Ho Ga Ga Au Au
Ho Ho Ga Ga Au Au 0 3 o o o 0 5 o o o 1 2 o o o 1 4 o o o 