data_Mg4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   99.11
_cell_angle_beta   99.11
_cell_angle_gamma   133.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Ge
_chemical_formula_sum   'Mg4 Ge1'
_cell_volume   105.58
_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  Mg1  1  0.79  0.43  0.0  1.0
  Mg  Mg2  1  0.43  0.21  0.0  1.0
  Mg  Mg3  1  0.71  0.08  0.15  1.0
  Mg  Mg4  1  0.08  0.29  0.15  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Mg4Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   80.89
_cell_angle_beta   66.56
_cell_angle_gamma   66.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Ge
_chemical_formula_sum   'Mg4 Ge1'
_cell_volume   105.58
_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  Mg0  1  0.08  0.63  0.85  1.0
  Mg  Mg1  1  0.21  0.21  -0.0  1.0
  Mg  Mg2  1  0.29  0.79  0.85  1.0
  Mg  Mg3  1  0.43  0.37  -0.0  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Ge