data_Mg4ZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   140.29
_cell_angle_beta   140.29
_cell_angle_gamma   57.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4ZnCu2
_chemical_formula_sum   'Mg4 Zn1 Cu2'
_cell_volume   157.44
_cell_formula_units_Z   1
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  Mg2  1  0.48  0.0  0.0  1.0
  Mg  Mg3  1  0.0  0.48  0.0  1.0
  Mg  Mg4  1  0.0  0.0  0.62  1.0
  Mg  Mg5  1  0.0  0.0  0.19  1.0
  Zn  Zn6  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.19  1.0
  Cu  Cu1  1  0.0  0.0  0.62  1.0

data_Mg4ZnCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   118.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg4ZnCu2
_chemical_formula_sum   'Mg8 Zn2 Cu4'
_cell_volume   314.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.24  0.24  0.48  1.0
  Mg  Mg1  2  0.0  0.0  0.38  1.0
  Mg  Mg2  2  0.0  0.0  0.81  1.0
  Zn  Zn3  2  0.0  0.0  0.0  1.0
  Cu  Cu4  2  0.0  0.0  0.38  1.0
  Cu  Cu5  2  0.0  0.0  0.81  1.0
