data_AlSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   5.14
_cell_angle_alpha   110.89
_cell_angle_beta   110.89
_cell_angle_gamma   31.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb2Se
_chemical_formula_sum   'Al1 Sb2 Se1'
_cell_volume   107.84
_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  0.47  0.0  0.97  1.0
  Sb  Sb1  1  0.8  0.0  0.54  1.0
  Sb  Sb2  1  0.57  0.0  0.47  1.0
  Se  Se3  1  0.35  0.0  0.18  1.0

data_AlSb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.14
_cell_length_c   6.59
_cell_angle_alpha   110.89
_cell_angle_beta   105.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb2Se
_chemical_formula_sum   'Al1 Sb2 Se1'
_cell_volume   107.84
_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  0.97  0.47  1.0
  Sb  Sb1  1  0.0  0.47  0.57  1.0
  Sb  Sb2  1  0.0  0.54  0.8  1.0
  Se  Se3  1  0.0  0.18  0.35  1.0

Al Sb Sb Se
Al Sb Sb Se 0 3 o o + 1 2 o o o 2 3 o o o 