data_KNaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   121.42
_cell_angle_beta   121.42
_cell_angle_gamma   87.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaCu2
_chemical_formula_sum   'K1 Na1 Cu2'
_cell_volume   102.42
_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  0.82  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.59  0.0  0.91  1.0
  Cu  Cu1  1  0.0  0.59  0.91  1.0

data_KNaCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   133.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNaCu2
_chemical_formula_sum   'K2 Na2 Cu4'
_cell_volume   204.84
_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  0.82  1.0
  Na  Na1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  4  0.21  0.21  0.32  1.0

K Na Cu Cu
K Na Cu Cu 0 1 o o + 1 2 - o - 1 3 o - - 