data_Mg3(ZnCu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   10.22
_cell_angle_alpha   121.81
_cell_angle_beta   121.81
_cell_angle_gamma   37.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3(ZnCu)2
_chemical_formula_sum   'Mg6 Zn4 Cu4'
_cell_volume   236.21
_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  0.96  0.0  0.36  1.0
  Mg  Mg5  1  0.1  0.0  0.13  1.0
  Mg  Mg6  1  0.49  0.0  0.6  1.0
  Mg  Mg7  1  0.57  0.0  0.89  1.0
  Mg  Mg8  1  0.23  0.0  0.63  1.0
  Mg  Mg9  1  0.84  0.0  0.85  1.0
  Zn  Zn10  1  0.23  0.0  0.05  1.0
  Zn  Zn11  1  0.83  0.0  0.44  1.0
  Zn  Zn12  1  0.42  0.0  0.94  1.0
  Zn  Zn13  1  0.64  0.0  0.55  1.0
  Cu  Cu0  1  0.67  0.0  0.61  1.0
  Cu  Cu1  1  0.4  0.0  0.88  1.0
  Cu  Cu2  1  0.43  0.0  0.55  1.0
  Cu  Cu3  1  0.63  0.0  0.94  1.0

data_Mg3(ZnCu)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.36
_cell_length_b   6.74
_cell_length_c   8.79
_cell_angle_alpha   81.15
_cell_angle_beta   75.63
_cell_angle_gamma   71.12
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg3(ZnCu)2
_chemical_formula_sum   'Mg6 Zn4 Cu4'
_cell_volume   236.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.3  0.39  1.0
  Mg  Mg1  2  0.0  0.31  0.12  1.0
  Mg  Mg2  2  0.0  0.39  0.65  1.0
  Zn  Zn3  2  0.0  0.11  0.2  1.0
  Zn  Zn4  2  0.0  0.2  0.69  1.0
  Cu  Cu5  2  0.0  0.23  0.64  1.0
  Cu  Cu6  2  0.0  0.41  0.69  1.0

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