data_KCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Te
_chemical_formula_sum   'K1 Cd2 Te1'
_cell_volume   132.14
_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  0.03  1.0
  Cd  Cd0  1  0.0  0.0  0.12  1.0
  Cd  Cd1  1  0.78  0.0  0.51  1.0
  Te  Te3  1  0.78  0.0  0.68  1.0

data_KCd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Te
_chemical_formula_sum   'K1 Cd2 Te1'
_cell_volume   132.14
_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  0.03  1.0
  Cd  Cd1  1  0.0  0.0  0.12  1.0
  Cd  Cd2  1  0.78  0.0  0.51  1.0
  Te  Te3  1  0.78  0.0  0.68  1.0

K Cd Cd Te
K Cd Cd Te 0 1 o o o 2 3 o o o 