data_BaGePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   146.19
_cell_angle_beta   146.19
_cell_angle_gamma   48.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGePb
_chemical_formula_sum   'Ba1 Ge1 Pb1'
_cell_volume   95.64
_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  0.0  0.27  1.0
  Ge  Ge1  1  0.0  0.0  0.73  1.0
  Pb  Pb2  1  0.0  0.0  0.68  1.0

data_BaGePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   114.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaGePb
_chemical_formula_sum   'Ba2 Ge2 Pb2'
_cell_volume   191.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.73  1.0
  Ge  Ge1  2  0.0  0.0  0.27  1.0
  Pb  Pb2  2  0.0  0.0  0.32  1.0

Ba Ge Pb
Ba Ge Pb 0 2 o o o 0 1 o o o 1 2 o o o 