data_K2BaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   6.99
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   95.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaCd
_chemical_formula_sum   'K2 Ba1 Cd1'
_cell_volume   203.73
_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  0.38  0.5  0.08  1.0
  K  K3  1  0.38  0.5  0.5  1.0
  Ba  Ba0  1  0.88  0.0  0.29  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0

data_K2BaCd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.43
_cell_length_b   6.99
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   95.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2BaCd
_chemical_formula_sum   'K2 Ba1 Cd1'
_cell_volume   203.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.38  0.5  0.08  1.0
  K  K1  1  0.38  0.5  0.5  1.0
  Ba  Ba2  1  0.88  0.0  0.29  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

K K Ba Cd
K K Ba Cd 0 1 o o o 2 3 + o o 