data_MgGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.69
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Pb
_chemical_formula_sum   'Mg1 Ge2 Pb1'
_cell_volume   91.85
_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  Mg2  1  0.0  0.0  0.38  1.0
  Ge  Ge0  1  0.0  0.0  0.42  1.0
  Ge  Ge1  1  0.68  0.84  0.75  1.0
  Pb  Pb3  1  0.68  0.84  0.56  1.0

data_MgGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.69
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Pb
_chemical_formula_sum   'Mg1 Ge2 Pb1'
_cell_volume   91.85
_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  0.38  1.0
  Ge  Ge1  1  0.0  0.0  0.42  1.0
  Ge  Ge2  1  0.68  0.84  0.75  1.0
  Pb  Pb3  1  0.68  0.84  0.56  1.0

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