data_KAlSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   135.71
_cell_angle_beta   130.05
_cell_angle_gamma   68.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSb2
_chemical_formula_sum   'K1 Al1 Sb2'
_cell_volume   110.55
_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  K1  1  0.0  0.0  0.9  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.51  0.57  1.0
  Sb  Sb3  1  0.24  0.0  0.33  1.0

data_KAlSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   5.02
_cell_length_c   5.95
_cell_angle_alpha   114.98
_cell_angle_beta   112.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSb2
_chemical_formula_sum   'K1 Al1 Sb2'
_cell_volume   110.55
_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  0.9  0.9  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.33  0.09  1.0
  Sb  Sb3  1  0.49  0.06  0.06  1.0

K Al Sb Sb
K Al Sb Sb 0 1 o o + 0 2 o - o 1 2 o - - 1 2 o o o 1 3 o o o 