data_AlCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   145.99
_cell_angle_beta   145.99
_cell_angle_gamma   48.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdSe2
_chemical_formula_sum   'Al1 Cd1 Se2'
_cell_volume   87.97
_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
  Cd  Cd1  1  0.92  0.0  0.99  1.0
  Se  Se2  1  0.0  0.0  0.97  1.0
  Se  Se3  1  0.0  0.92  0.99  1.0

data_AlCdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   6.56
_cell_angle_alpha   107.0
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdSe2
_chemical_formula_sum   'Al1 Cd1 Se2'
_cell_volume   87.97
_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
  Cd  Cd1  1  0.99  0.07  0.07  1.0
  Se  Se2  1  0.07  0.99  0.07  1.0
  Se  Se3  1  0.97  0.97  0.97  1.0

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