data_Mg5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Ge4
_chemical_formula_sum   'Mg10 Ge8'
_cell_volume   356.25
_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  Mg8  1  0.05  0.29  0.33  1.0
  Mg  Mg9  1  0.34  0.0  0.33  1.0
  Mg  Mg10  1  0.83  0.02  0.33  1.0
  Mg  Mg11  1  0.17  0.02  0.44  1.0
  Mg  Mg12  1  0.1  0.0  0.44  1.0
  Mg  Mg13  1  0.95  0.29  0.44  1.0
  Mg  Mg14  1  0.0  0.87  0.89  1.0
  Mg  Mg15  1  0.22  0.44  0.0  1.0
  Mg  Mg16  1  0.22  0.44  0.89  1.0
  Mg  Mg17  1  0.0  0.87  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.89  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.69  0.92  0.33  1.0
  Ge  Ge3  1  0.06  0.0  0.33  1.0
  Ge  Ge4  1  0.47  0.39  0.33  1.0
  Ge  Ge5  1  0.53  0.39  0.44  1.0
  Ge  Ge6  1  0.38  0.0  0.44  1.0
  Ge  Ge7  1  0.31  0.92  0.44  1.0

data_Mg5Ge4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.77
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Ge4
_chemical_formula_sum   'Mg10 Ge8'
_cell_volume   356.25
_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  -0.0  0.22  0.44  1.0
  Mg  Mg1  1  -0.0  0.0  0.87  1.0
  Mg  Mg2  1  0.33  0.05  0.29  1.0
  Mg  Mg3  1  0.33  0.34  0.0  1.0
  Mg  Mg4  1  0.33  0.83  0.02  1.0
  Mg  Mg5  1  0.44  0.1  0.0  1.0
  Mg  Mg6  1  0.44  0.17  0.02  1.0
  Mg  Mg7  1  0.44  0.95  0.29  1.0
  Mg  Mg8  1  0.89  0.0  0.87  1.0
  Mg  Mg9  1  0.89  0.22  0.44  1.0
  Ge  Ge10  1  0.0  0.0  0.0  1.0
  Ge  Ge11  1  0.33  0.06  0.0  1.0
  Ge  Ge12  1  0.33  0.47  0.39  1.0
  Ge  Ge13  1  0.33  0.69  0.92  1.0
  Ge  Ge14  1  0.44  0.31  0.92  1.0
  Ge  Ge15  1  0.44  0.38  0.0  1.0
  Ge  Ge16  1  0.44  0.53  0.39  1.0
  Ge  Ge17  1  0.89  0.0  0.0  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Ge Ge Ge Ge Ge Ge Ge Ge