data_AlSn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   131.81
_cell_angle_beta   131.81
_cell_angle_gamma   70.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Sb
_chemical_formula_sum   'Al1 Sn2 Sb1'
_cell_volume   102.97
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.34  0.34  1.0
  Sn  Sn3  1  0.34  0.0  0.34  1.0
  Sb  Sb1  1  0.0  0.0  0.69  1.0

data_AlSn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   125.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSn2Sb
_chemical_formula_sum   'Al2 Sn4 Sb2'
_cell_volume   205.93
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.33  0.33  0.0  1.0
  Sb  Sb2  2  0.31  0.0  0.31  1.0

Al Sn Sn Sb
Al Sn Sn Sb 0 1 o o o 0 3 o o - 0 2 o o o 