data_KAl2Te
_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   133.37
_cell_angle_beta   133.37
_cell_angle_gamma   68.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Te
_chemical_formula_sum   'K1 Al2 Te1'
_cell_volume   109.34
_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  0.93  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.35  0.0  0.47  1.0
  Te  Te3  1  0.0  0.35  0.47  1.0

data_KAl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.95
_cell_angle_alpha   113.31
_cell_angle_beta   113.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Te
_chemical_formula_sum   'K1 Al2 Te1'
_cell_volume   109.34
_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  0.93  0.93  0.93  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.47  0.11  0.11  1.0
  Te  Te3  1  0.11  0.47  0.11  1.0

K Al Al Te
K Al Al Te 0 1 o o + 0 2 o o + 0 3 o o + 1 2 o o o 1 3 o o o 2 3 o o o 