data_Sn3Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.53
_cell_length_b   12.53
_cell_length_c   12.53
_cell_angle_alpha   161.6
_cell_angle_beta   161.6
_cell_angle_gamma   26.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Sb4
_chemical_formula_sum   'Sn3 Sb4'
_cell_volume   195.86
_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  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.0  0.0  0.32  1.0
  Sn  Sn6  1  0.0  0.0  0.09  1.0
  Sb  Sb0  1  0.0  0.0  0.96  1.0
  Sb  Sb1  1  0.0  0.0  0.45  1.0
  Sb  Sb2  1  0.0  0.0  0.04  1.0
  Sb  Sb3  1  0.0  0.0  0.37  1.0

data_Sn3Sb4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn3Sb4
_chemical_formula_sum   'Sn6 Sb8'
_cell_volume   391.73
_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
  Sn  Sn0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.09  0.0  0.09  1.0
  Sn  Sn2  2  0.32  0.0  0.32  1.0
  Sb  Sb3  2  0.04  0.0  0.04  1.0
  Sb  Sb4  2  0.37  0.0  0.37  1.0
  Sb  Sb5  2  0.45  0.0  0.45  1.0
  Sb  Sb6  2  0.46  0.5  0.96  1.0

Sn Sn Sn Sb Sb Sb Sb
Sn Sn Sn Sb Sb Sb Sb 0 3 o o - 0 5 o o o 1 6 o o o 2 5 o o o 4 6 o o o 