data_AlSnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   145.41
_cell_angle_beta   145.41
_cell_angle_gamma   49.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnTe
_chemical_formula_sum   'Al1 Sn1 Te1'
_cell_volume   78.68
_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  0.13  1.0
  Sn  Sn1  1  0.0  0.0  0.09  1.0
  Te  Te2  1  0.0  0.0  0.14  1.0

data_AlSnTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   114.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSnTe
_chemical_formula_sum   'Al2 Sn2 Te2'
_cell_volume   157.37
_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+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  0.13  0.0  0.13  1.0
  Sn  Sn1  2  0.09  0.0  0.09  1.0
  Te  Te2  2  0.14  0.0  0.14  1.0

Al Sn Te