data_Mg4ZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   129.77
_cell_angle_beta   129.77
_cell_angle_gamma   73.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4ZnCu2
_chemical_formula_sum   'Mg8 Zn2 Cu4'
_cell_volume   278.44
_cell_formula_units_Z   2
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
  Mg  Mg4  1  0.45  0.12  0.81  1.0
  Mg  Mg5  1  0.88  0.21  0.08  1.0
  Mg  Mg6  1  0.21  0.12  0.47  1.0
  Mg  Mg7  1  0.12  0.21  0.19  1.0
  Mg  Mg8  1  0.21  0.12  0.08  1.0
  Mg  Mg9  1  0.12  0.21  0.81  1.0
  Mg  Mg10  1  0.45  0.12  0.19  1.0
  Mg  Mg11  1  0.88  0.21  0.47  1.0
  Zn  Zn12  1  0.0  0.0  0.14  1.0
  Zn  Zn13  1  0.0  0.0  0.41  1.0
  Cu  Cu0  1  0.48  0.15  0.28  1.0
  Cu  Cu1  1  0.85  0.18  0.0  1.0
  Cu  Cu2  1  0.85  0.48  0.28  1.0
  Cu  Cu3  1  0.48  0.85  0.0  1.0

data_Mg4ZnCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   7.85
_cell_angle_alpha   115.12
_cell_angle_beta   115.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4ZnCu2
_chemical_formula_sum   'Mg8 Zn2 Cu4'
_cell_volume   278.44
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.07  0.74  0.62  1.0
  Mg  Mg1  1  0.26  0.59  0.38  1.0
  Mg  Mg2  1  0.35  0.26  0.14  1.0
  Mg  Mg3  1  0.6  0.69  0.48  1.0
  Mg  Mg4  1  0.69  0.36  0.24  1.0
  Mg  Mg5  1  0.87  0.2  0.99  1.0
  Mg  Mg6  1  0.96  0.87  0.75  1.0
  Mg  Mg7  1  0.98  0.07  0.86  1.0
  Zn  Zn8  1  0.14  0.14  0.14  1.0
  Zn  Zn9  1  0.41  0.41  0.41  1.0
  Cu  Cu10  1  0.13  0.8  0.65  1.0
  Cu  Cu11  1  0.15  0.52  0.67  1.0
  Cu  Cu12  1  0.8  0.42  0.95  1.0
  Cu  Cu13  1  0.82  0.15  0.97  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Zn Zn Cu Cu Cu Cu