data_K2CuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   6.59
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuCl
_chemical_formula_sum   'K2 Cu1 Cl1'
_cell_volume   141.83
_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  0.1  0.0  0.65  1.0
  K  K3  1  0.64  0.29  0.89  1.0
  Cu  Cu1  1  0.9  0.29  0.53  1.0
  Cl  Cl0  1  0.78  0.0  0.99  1.0

data_K2CuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.71
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuCl
_chemical_formula_sum   'K2 Cu1 Cl1'
_cell_volume   141.83
_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  0.36  0.11  0.71  1.0
  K  K1  1  0.9  0.35  0.0  1.0
  Cu  Cu2  1  0.1  0.47  0.71  1.0
  Cl  Cl3  1  0.22  0.01  0.0  1.0

K K Cu Cl
K K Cu Cl 0 2 - o o 0 3 - o o 1 3 o o o 1 2 o o o 