data_Si2SnB
_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   145.91
_cell_angle_beta   145.91
_cell_angle_gamma   48.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnB
_chemical_formula_sum   'Si2 Sn1 B1'
_cell_volume   65.98
_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
  Si  Si1  1  0.74  0.0  0.71  1.0
  Si  Si2  1  0.0  0.74  0.71  1.0
  Sn  Sn3  1  0.0  0.0  0.42  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Si2SnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   114.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2SnB
_chemical_formula_sum   'Si4 Sn2 B2'
_cell_volume   131.95
_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
  Si  Si0  4  0.37  0.37  0.04  1.0
  Sn  Sn1  2  0.0  0.0  0.58  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Si Si Sn B