data_K2TaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   158.06
_cell_angle_beta   129.07
_cell_angle_gamma   56.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaCd
_chemical_formula_sum   'K2 Ta1 Cd1'
_cell_volume   132.45
_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  0.32  0.46  1.0
  K  K2  1  0.0  0.0  0.61  1.0
  Ta  Ta3  1  0.0  0.32  0.53  1.0
  Cd  Cd0  1  0.0  0.0  0.82  1.0

data_K2TaCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   6.63
_cell_length_c   7.71
_cell_angle_alpha   115.47
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaCd
_chemical_formula_sum   'K2 Ta1 Cd1'
_cell_volume   132.45
_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  0.61  0.61  1.0
  K  K1  1  0.68  0.14  0.14  1.0
  Ta  Ta2  1  0.68  0.21  0.21  1.0
  Cd  Cd3  1  0.0  0.82  0.82  1.0

K K Ta Cd
K K Ta Cd 0 2 o o o 1 3 o o o 