data_BSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   112.12
_cell_angle_beta   112.12
_cell_angle_gamma   104.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Au
_chemical_formula_sum   'B1 Sb2 Au1'
_cell_volume   86.15
_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
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.7  0.0  1.0
  Sb  Sb3  1  0.7  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.96  1.0

data_BSb2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.93
_cell_length_b   7.63
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   127.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BSb2Au
_chemical_formula_sum   'B2 Sb4 Au2'
_cell_volume   172.29
_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
  B  B0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.35  0.35  -0.0  1.0
  Au  Au2  2  0.04  0.0  0.04  1.0

B Sb Sb Au
B Sb Sb Au 0 3 o o - 0 1 o - o 0 2 - o o 1 3 o + - 2 3 + o - 