data_Al2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   139.14
_cell_angle_beta   139.14
_cell_angle_gamma   59.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnSe
_chemical_formula_sum   'Al2 Sn1 Se1'
_cell_volume   87.08
_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
  Al  Al1  1  0.06  0.0  0.57  1.0
  Sn  Sn3  1  0.0  0.06  0.57  1.0
  Se  Se2  1  0.0  0.0  0.13  1.0

data_Al2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.9
_cell_angle_alpha   110.43
_cell_angle_beta   110.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnSe
_chemical_formula_sum   'Al2 Sn1 Se1'
_cell_volume   87.08
_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
  Al  Al1  1  0.57  0.51  0.51  1.0
  Sn  Sn2  1  0.51  0.57  0.51  1.0
  Se  Se3  1  0.13  0.13  0.13  1.0

Al Al Sn Se
Al Al Sn Se 0 3 o o o 1 2 o o o 