data_MgZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnCu
_chemical_formula_sum   'Mg3 Zn3 Cu3'
_cell_volume   137.25
_cell_formula_units_Z   3
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  Mg3  1  0.0  0.0  0.0  1.0
  Mg  Mg4  1  0.0  0.41  0.36  1.0
  Mg  Mg5  1  0.82  0.2  0.36  1.0
  Zn  Zn6  1  0.4  0.0  0.36  1.0
  Zn  Zn7  1  0.8  0.08  0.36  1.0
  Zn  Zn8  1  0.62  0.54  0.36  1.0
  Cu  Cu0  1  0.93  0.0  0.0  1.0
  Cu  Cu1  1  0.54  0.27  0.0  1.0
  Cu  Cu2  1  0.35  0.35  0.0  1.0

data_MgZnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnCu
_chemical_formula_sum   'Mg3 Zn3 Cu3'
_cell_volume   137.25
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.36  0.0  0.41  1.0
  Mg  Mg2  1  0.36  0.82  0.2  1.0
  Zn  Zn3  1  0.36  0.4  0.0  1.0
  Zn  Zn4  1  0.36  0.62  0.54  1.0
  Zn  Zn5  1  0.36  0.8  0.08  1.0
  Cu  Cu6  1  0.0  0.93  0.0  1.0
  Cu  Cu7  1  0.0  0.54  0.27  1.0
  Cu  Cu8  1  0.0  0.35  0.35  1.0

Mg Mg Mg Zn Zn Zn Cu Cu Cu