data_Zn8Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   95.7
_cell_angle_beta   95.7
_cell_angle_gamma   143.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn8Cu
_chemical_formula_sum   'Zn8 Cu1'
_cell_volume   130.32
_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  0.34  0.66  0.93  1.0
  Zn  Zn2  1  0.66  0.34  0.93  1.0
  Zn  Zn3  1  0.0  0.5  0.0  1.0
  Zn  Zn4  1  0.77  0.77  0.0  1.0
  Zn  Zn5  1  0.5  0.0  0.0  1.0
  Zn  Zn6  1  0.34  0.34  0.93  1.0
  Zn  Zn7  1  0.0  0.71  0.0  1.0
  Zn  Zn8  1  0.71  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Zn8Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   11.62
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   108.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn8Cu
_chemical_formula_sum   'Zn16 Cu2'
_cell_volume   260.63
_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
  Zn  Zn0  4  -0.0  0.34  0.07  1.0
  Zn  Zn1  4  0.14  0.14  0.0  1.0
  Zn  Zn2  4  0.25  0.25  0.0  1.0
  Zn  Zn3  2  0.16  0.5  0.07  1.0
  Zn  Zn4  2  0.23  0.0  0.0  1.0
  Cu  Cu5  2  0.0  0.0  0.0  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Cu
Zn Zn Zn Zn Zn Zn Zn Zn Cu 0 2 o o + 0 4 o + + 0 7 o + + 1 4 o o + 1 6 + o + 1 2 + o + 2 6 o o o 3 8 + + o 3 5 o o - 4 7 o o o 5 8 o o + 