data_MgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe
_chemical_formula_sum   'Mg3 Ge3'
_cell_volume   142.03
_cell_formula_units_Z   3
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  Mg3  1  0.61  0.41  0.0  1.0
  Mg  Mg4  1  0.39  0.14  0.0  1.0
  Mg  Mg5  1  0.78  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.78  0.18  0.43  1.0
  Ge  Ge2  1  0.0  0.37  0.43  1.0

data_MgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe
_chemical_formula_sum   'Mg3 Ge3'
_cell_volume   142.03
_cell_formula_units_Z   3
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  0.78  0.0  1.0
  Mg  Mg1  1  0.0  0.39  0.14  1.0
  Mg  Mg2  1  0.0  0.61  0.41  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Ge  Ge4  1  0.43  0.0  0.37  1.0
  Ge  Ge5  1  0.43  0.78  0.18  1.0

Mg Mg Mg Ge Ge Ge
Mg Mg Mg Ge Ge Ge 0 1 o o o 2 4 o o o 2 3 + o o 4 5 + o o 