data_Mg2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   149.62
_cell_angle_beta   141.25
_cell_angle_gamma   50.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GePb
_chemical_formula_sum   'Mg2 Ge1 Pb1'
_cell_volume   96.86
_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  0.0  0.24  0.45  1.0
  Mg  Mg2  1  0.0  0.0  0.97  1.0
  Ge  Ge0  1  0.0  0.0  0.35  1.0
  Pb  Pb3  1  0.0  0.24  0.57  1.0

data_Mg2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.48
_cell_length_c   6.75
_cell_angle_alpha   109.37
_cell_angle_beta   105.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GePb
_chemical_formula_sum   'Mg2 Ge1 Pb1'
_cell_volume   96.86
_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  0.97  0.97  1.0
  Mg  Mg1  1  0.76  0.22  0.22  1.0
  Ge  Ge2  1  0.0  0.35  0.35  1.0
  Pb  Pb3  1  0.76  0.33  0.33  1.0

Mg Mg Ge Pb