data_AlPdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPdSe2
_chemical_formula_sum   'Al1 Pd1 Se2'
_cell_volume   86.48
_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  0.54  1.0
  Pd  Pd1  1  0.76  0.76  0.33  1.0
  Se  Se2  1  0.0  0.0  0.06  1.0
  Se  Se3  1  0.76  0.76  0.57  1.0

data_AlPdSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlPdSe2
_chemical_formula_sum   'Al2 Pd2 Se4'
_cell_volume   172.97
_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  0.54  1.0
  Pd  Pd1  2  0.26  0.5  0.33  1.0
  Se  Se2  2  0.0  0.0  0.06  1.0
  Se  Se3  2  0.26  0.5  0.57  1.0

Al Pd Se Se
Al Pd Se Se 0 3 - - o 0 1 - - o 1 3 o o o 1 2 + + o 