data_Sb5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5Au
_chemical_formula_sum   'Sb5 Au1'
_cell_volume   164.73
_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
  Sb  Sb1  1  0.65  0.35  0.03  1.0
  Sb  Sb2  1  0.65  0.65  0.03  1.0
  Sb  Sb3  1  0.65  0.73  0.0  1.0
  Sb  Sb4  1  0.65  0.27  0.0  1.0
  Sb  Sb5  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0

data_Sb5Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   6.07
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5Au
_chemical_formula_sum   'Sb5 Au1'
_cell_volume   164.73
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.27  -0.0  0.61  1.0
  Sb  Sb2  1  0.35  0.97  0.69  1.0
  Sb  Sb3  1  0.65  0.97  1.0  1.0
  Sb  Sb4  1  0.73  -0.0  0.08  1.0
  Au  Au5  1  0.0  0.97  0.0  1.0

Sb Sb Sb Sb Sb Au
Sb Sb Sb Sb Sb Au 0 3 o o o 1 2 o o o 4 5 o o o 