data_Ba2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   5.43
_cell_angle_alpha   112.72
_cell_angle_beta   112.72
_cell_angle_gamma   36.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GePb
_chemical_formula_sum   'Ba2 Ge1 Pb1'
_cell_volume   142.84
_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
  Ba  Ba0  1  0.11  0.0  0.06  1.0
  Ba  Ba1  1  0.45  0.0  0.59  1.0
  Ge  Ge2  1  0.99  0.0  0.35  1.0
  Pb  Pb3  1  0.9  0.0  0.43  1.0

data_Ba2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   5.43
_cell_length_c   6.94
_cell_angle_alpha   112.72
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GePb
_chemical_formula_sum   'Ba2 Ge1 Pb1'
_cell_volume   142.84
_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
  Ba  Ba0  1  0.0  0.06  0.11  1.0
  Ba  Ba1  1  0.0  0.59  0.45  1.0
  Ge  Ge2  1  0.0  0.35  0.99  1.0
  Pb  Pb3  1  0.0  0.43  0.9  1.0

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