data_K2CdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CdSi
_chemical_formula_sum   'K2 Cd1 Si1'
_cell_volume   150.77
_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  0.0  0.26  1.0
  K  K2  1  0.94  0.94  0.26  1.0
  Cd  Cd0  1  0.94  0.94  0.55  1.0
  Si  Si3  1  0.0  0.0  0.9  1.0

data_K2CdSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2CdSi
_chemical_formula_sum   'K4 Cd2 Si2'
_cell_volume   301.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.26  1.0
  K  K1  2  0.44  0.5  0.26  1.0
  Cd  Cd2  2  0.44  0.5  0.55  1.0
  Si  Si3  2  0.0  0.0  0.9  1.0

K K Cd Si
K K Cd Si 0 1 - - o 0 2 - - o 0 3 o o - 1 2 o o o 1 3 + + - 2 3 + + o 3 3 + o o 3 3 o + o 