data_SnB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2Au
_chemical_formula_sum   'Sn1 B2 Au1'
_cell_volume   69.19
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  B  B1  1  1.0  0.0  0.89  1.0
  B  B2  1  1.0  0.0  0.14  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0

data_SnB2Au
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   5.74
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   SnB2Au
_chemical_formula_sum   'Sn2 B4 Au2'
_cell_volume   138.37
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Sn  Sn0  2  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.11  1.0
  B  B2  2  0.0  0.0  0.86  1.0
  Au  Au3  2  0.0  0.0  0.99  1.0

Sn B B Au