data_Mg2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.29
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GePb
_chemical_formula_sum   'Mg2 Ge1 Pb1'
_cell_volume   94.11
_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  0.7  0.15  0.27  1.0
  Mg  Mg2  1  0.0  0.0  0.55  1.0
  Ge  Ge0  1  0.0  0.0  0.11  1.0
  Pb  Pb3  1  0.7  0.15  0.18  1.0

data_Mg2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.29
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GePb
_chemical_formula_sum   'Mg2 Ge1 Pb1'
_cell_volume   94.11
_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  0.0  0.0  0.55  1.0
  Mg  Mg1  1  0.7  0.15  0.27  1.0
  Ge  Ge2  1  0.0  0.0  0.11  1.0
  Pb  Pb3  1  0.7  0.15  0.18  1.0

Mg Mg Ge Pb
Mg Mg Ge Pb 0 3 o o o 0 1 + o o 2 3 - o o 