data_Zn5Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   6.39
_cell_angle_alpha   102.74
_cell_angle_beta   102.74
_cell_angle_gamma   31.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Cu
_chemical_formula_sum   'Zn5 Cu1'
_cell_volume   85.04
_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
  Zn  Zn1  1  0.05  0.0  0.04  1.0
  Zn  Zn2  1  0.32  0.0  0.19  1.0
  Zn  Zn3  1  0.45  0.0  0.69  1.0
  Zn  Zn4  1  0.64  0.0  0.83  1.0
  Zn  Zn5  1  0.69  0.0  0.89  1.0
  Cu  Cu0  1  0.37  0.0  0.21  1.0

data_Zn5Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.11
_cell_length_c   6.39
_cell_angle_alpha   102.74
_cell_angle_beta   90.0
_cell_angle_gamma   105.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Cu
_chemical_formula_sum   'Zn5 Cu1'
_cell_volume   85.04
_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
  Zn  Zn0  1  0.0  0.31  0.11  1.0
  Zn  Zn1  1  0.0  0.36  0.17  1.0
  Zn  Zn2  1  0.0  0.55  0.31  1.0
  Zn  Zn3  1  0.0  0.68  0.81  1.0
  Zn  Zn4  1  0.0  0.95  0.96  1.0
  Cu  Cu5  1  0.0  0.63  0.79  1.0

Zn Zn Zn Zn Zn Cu