data_KAl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   153.22
_cell_angle_beta   127.4
_cell_angle_gamma   59.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Cr
_chemical_formula_sum   'K1 Al2 Cr1'
_cell_volume   92.52
_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  K3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.83  0.27  1.0
  Al  Al1  1  0.48  0.0  0.26  1.0
  Cr  Cr2  1  0.0  0.0  0.53  1.0

data_KAl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.66
_cell_length_c   6.38
_cell_angle_alpha   116.3
_cell_angle_beta   103.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Cr
_chemical_formula_sum   'K1 Al2 Cr1'
_cell_volume   92.52
_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  0.22  0.74  0.22  1.0
  Al  Al2  1  0.73  0.56  0.56  1.0
  Cr  Cr3  1  0.47  0.47  0.47  1.0

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