data_KAl(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl(SO4)2
_chemical_formula_sum   'K1 Al1 S2 O8'
_cell_volume   150.83
_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  0.89  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  S  S10  1  0.0  0.73  0.07  1.0
  S  S11  1  0.36  0.37  0.72  1.0
  O  O2  1  0.0  0.73  0.62  1.0
  O  O3  1  0.42  0.4  0.57  1.0
  O  O4  1  0.64  0.03  0.57  1.0
  O  O5  1  0.94  0.76  0.57  1.0
  O  O6  1  0.31  0.33  0.21  1.0
  O  O7  1  0.0  0.07  0.21  1.0
  O  O8  1  0.79  0.7  0.21  1.0
  O  O9  1  0.36  0.37  0.17  1.0

data_KAl(SO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl(SO4)2
_chemical_formula_sum   'K1 Al1 S2 O8'
_cell_volume   150.83
_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  0.89  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  S  S2  1  -0.0  0.73  0.07  1.0
  S  S3  1  0.36  0.37  0.72  1.0
  O  O4  1  -0.0  0.73  0.62  1.0
  O  O5  1  0.0  0.07  0.21  1.0
  O  O6  1  0.31  0.33  0.21  1.0
  O  O7  1  0.36  0.37  0.17  1.0
  O  O8  1  0.42  0.4  0.57  1.0
  O  O9  1  0.64  0.03  0.57  1.0
  O  O10  1  0.79  0.7  0.21  1.0
  O  O11  1  0.94  0.76  0.57  1.0

K Al S S O O O O O O O O