data_TaGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.34
_cell_angle_alpha   97.57
_cell_angle_beta   97.57
_cell_angle_gamma   31.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGePb2
_chemical_formula_sum   'Ta1 Ge1 Pb2'
_cell_volume   94.36
_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
  Ta  Ta3  1  0.28  0.0  0.65  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.09  0.0  0.93  1.0
  Pb  Pb2  1  0.46  0.0  0.36  1.0

data_TaGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.34
_cell_length_c   5.86
_cell_angle_alpha   97.57
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGePb2
_chemical_formula_sum   'Ta1 Ge1 Pb2'
_cell_volume   94.36
_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
  Ta  Ta0  1  0.0  0.65  0.28  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.36  0.46  1.0
  Pb  Pb3  1  0.0  0.93  0.09  1.0

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