data_KCu2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   133.63
_cell_angle_beta   112.21
_cell_angle_gamma   86.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2Ge
_chemical_formula_sum   'K1 Cu2 Ge1'
_cell_volume   94.21
_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
  Cu  Cu0  1  0.0  0.94  0.26  1.0
  Cu  Cu1  1  0.08  0.0  0.59  1.0
  Ge  Ge2  1  0.0  0.0  0.85  1.0

data_KCu2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   67.79
_cell_angle_beta   66.81
_cell_angle_gamma   66.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2Ge
_chemical_formula_sum   'K1 Cu2 Ge1'
_cell_volume   94.21
_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
  Cu  Cu1  1  0.0  0.92  0.59  1.0
  Cu  Cu2  1  0.94  0.0  0.32  1.0
  Ge  Ge3  1  0.0  -0.0  0.85  1.0

K Cu Cu Ge