data_MgZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   155.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnCu2
_chemical_formula_sum   'Mg2 Zn2 Cu4'
_cell_volume   118.08
_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  0.41  0.77  0.64  1.0
  Mg  Mg5  1  0.41  0.23  0.91  1.0
  Zn  Zn6  1  0.41  0.56  0.64  1.0
  Zn  Zn7  1  0.41  0.44  0.91  1.0
  Cu  Cu0  1  0.41  0.13  0.89  1.0
  Cu  Cu1  1  0.41  0.87  0.17  1.0
  Cu  Cu2  1  0.41  0.13  0.38  1.0
  Cu  Cu3  1  0.41  0.87  0.65  1.0

data_MgZnCu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.83
_cell_length_b   6.54
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.49
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgZnCu2
_chemical_formula_sum   'Mg2 Zn2 Cu4'
_cell_volume   118.08
_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  0.23  0.23  0.36  1.0
  Zn  Zn1  2  0.44  0.44  0.36  1.0
  Cu  Cu2  2  0.13  0.13  0.38  1.0
  Cu  Cu3  2  0.13  0.13  0.89  1.0

Mg Mg Zn Zn Cu Cu Cu Cu