data_Mg2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   14.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg4 Zn2'
_cell_volume   121.23
_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  Mg0  1  1.0  0.79  0.3  1.0
  Mg  Mg1  1  0.0  0.0  0.63  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.0  0.0  0.97  1.0
  Zn  Zn4  1  1.0  0.79  0.32  1.0
  Zn  Zn5  1  1.0  0.79  0.28  1.0

data_Mg2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.1
_cell_length_b   5.36
_cell_length_c   14.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg8 Zn4'
_cell_volume   242.46
_cell_formula_units_Z   4
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  2  0.0  0.0  0.0  1.0
  Mg  Mg1  2  0.0  0.0  0.63  1.0
  Mg  Mg2  2  0.0  0.0  0.97  1.0
  Mg  Mg3  2  0.29  0.5  0.3  1.0
  Zn  Zn4  2  0.29  0.5  0.28  1.0
  Zn  Zn5  2  0.29  0.5  0.32  1.0

Mg Mg Mg Mg Zn Zn