data_KAl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   7.68
_cell_angle_alpha   94.4
_cell_angle_beta   94.4
_cell_angle_gamma   32.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2W
_chemical_formula_sum   'K1 Al2 W1'
_cell_volume   99.38
_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  0.43  0.0  0.74  1.0
  Al  Al0  1  0.3  0.0  0.35  1.0
  Al  Al1  1  1.0  0.0  0.43  1.0
  W  W3  1  0.77  0.0  0.96  1.0

data_KAl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.88
_cell_length_c   7.68
_cell_angle_alpha   94.4
_cell_angle_beta   90.0
_cell_angle_gamma   106.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2W
_chemical_formula_sum   'K1 Al2 W1'
_cell_volume   99.38
_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  0.57  0.26  1.0
  Al  Al1  1  0.0  0.0  0.57  1.0
  Al  Al2  1  0.0  0.7  0.65  1.0
  W  W3  1  0.0  0.23  0.04  1.0

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