data_KYCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   148.97
_cell_angle_beta   131.37
_cell_angle_gamma   58.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYCu2
_chemical_formula_sum   'K1 Y1 Cu2'
_cell_volume   93.9
_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  0.0  0.0  0.22  1.0
  Y  Y3  1  0.0  0.58  0.07  1.0
  Cu  Cu0  1  0.0  0.0  0.37  1.0
  Cu  Cu1  1  0.67  0.0  0.24  1.0

data_KYCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.15
_cell_length_c   6.25
_cell_angle_alpha   114.32
_cell_angle_beta   105.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYCu2
_chemical_formula_sum   'K1 Y1 Cu2'
_cell_volume   93.9
_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  0.22  0.22  1.0
  Y  Y1  1  0.42  0.49  0.49  1.0
  Cu  Cu2  1  0.0  0.24  0.57  1.0
  Cu  Cu3  1  0.0  0.37  0.37  1.0

K Y Cu Cu