data_KInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   132.49
_cell_angle_beta   132.49
_cell_angle_gamma   69.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInCu2
_chemical_formula_sum   'K1 In1 Cu2'
_cell_volume   88.89
_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  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.22  0.26  1.0
  Cu  Cu0  1  0.22  0.0  0.26  1.0
  Cu  Cu1  1  0.0  0.0  0.52  1.0

data_KInCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.5
_cell_angle_alpha   113.76
_cell_angle_beta   113.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInCu2
_chemical_formula_sum   'K1 In1 Cu2'
_cell_volume   88.89
_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  0.0  0.0  1.0
  In  In1  1  0.96  0.22  0.96  1.0
  Cu  Cu2  1  0.48  0.0  0.48  1.0
  Cu  Cu3  1  0.74  0.0  0.96  1.0

K In Cu Cu