data_KBaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.09
_cell_angle_alpha   110.67
_cell_angle_beta   110.67
_cell_angle_gamma   35.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaCd2
_chemical_formula_sum   'K1 Ba1 Cd2'
_cell_volume   151.22
_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  0.53  0.0  0.08  1.0
  Ba  Ba0  1  0.86  0.0  0.15  1.0
  Cd  Cd1  1  0.2  0.0  0.63  1.0
  Cd  Cd2  1  0.04  0.0  0.28  1.0

data_KBaCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   6.09
_cell_length_c   6.78
_cell_angle_alpha   110.67
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaCd2
_chemical_formula_sum   'K1 Ba1 Cd2'
_cell_volume   151.22
_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  0.08  0.53  1.0
  Ba  Ba1  1  0.0  0.15  0.86  1.0
  Cd  Cd2  1  0.0  0.28  0.04  1.0
  Cd  Cd3  1  0.0  0.63  0.2  1.0

K Ba Cd Cd