data_Mg2Zn2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   9.76
_cell_angle_alpha   127.43
_cell_angle_beta   127.43
_cell_angle_gamma   36.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn2Cu3
_chemical_formula_sum   'Mg4 Zn4 Cu6'
_cell_volume   212.03
_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  Mg6  1  0.07  0.0  0.14  1.0
  Mg  Mg7  1  0.79  0.0  0.36  1.0
  Mg  Mg8  1  0.64  0.0  0.21  1.0
  Mg  Mg9  1  0.22  0.0  0.29  1.0
  Zn  Zn10  1  0.81  0.0  0.21  1.0
  Zn  Zn11  1  0.05  0.0  0.29  1.0
  Zn  Zn12  1  0.41  0.0  0.87  1.0
  Zn  Zn13  1  0.44  0.0  0.64  1.0
  Cu  Cu0  1  0.81  0.0  0.78  1.0
  Cu  Cu1  1  0.04  0.0  0.73  1.0
  Cu  Cu2  1  0.87  0.0  0.62  1.0
  Cu  Cu3  1  0.99  0.0  0.88  1.0
  Cu  Cu4  1  0.84  0.0  0.81  1.0
  Cu  Cu5  1  0.02  0.0  0.69  1.0

data_Mg2Zn2Cu3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.31
_cell_length_b   6.9
_cell_length_c   7.81
_cell_angle_alpha   82.92
_cell_angle_beta   73.98
_cell_angle_gamma   71.79
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Zn2Cu3
_chemical_formula_sum   'Mg4 Zn4 Cu6'
_cell_volume   212.03
_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  0.25  0.11  1.0
  Mg  Mg1  2  0.0  0.25  0.96  1.0
  Zn  Zn2  2  0.0  0.37  0.61  1.0
  Zn  Zn3  2  0.0  0.42  0.96  1.0
  Cu  Cu4  2  0.0  0.07  0.37  1.0
  Cu  Cu5  2  0.0  0.14  0.48  1.0
  Cu  Cu6  2  0.0  0.15  0.44  1.0

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