data_KAl2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.68
_cell_angle_alpha   110.81
_cell_angle_beta   110.81
_cell_angle_gamma   33.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Se
_chemical_formula_sum   'K1 Al2 Se1'
_cell_volume   102.59
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.9  0.0  0.4  1.0
  Al  Al1  1  0.32  0.0  0.87  1.0
  Se  Se3  1  0.61  0.0  0.64  1.0

data_KAl2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.68
_cell_length_c   5.92
_cell_angle_alpha   110.81
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Se
_chemical_formula_sum   'K1 Al2 Se1'
_cell_volume   102.59
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.4  0.9  1.0
  Al  Al2  1  0.0  0.87  0.32  1.0
  Se  Se3  1  0.0  0.64  0.61  1.0

K Al Al Se