data_TaGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   4.56
_cell_angle_alpha   105.74
_cell_angle_beta   105.74
_cell_angle_gamma   23.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe2Pb
_chemical_formula_sum   'Ta1 Ge2 Pb1'
_cell_volume   90.26
_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  0.0  0.0  0.06  1.0
  Ge  Ge0  1  0.85  0.0  0.25  1.0
  Ge  Ge1  1  0.5  0.0  0.28  1.0
  Pb  Pb2  1  0.65  0.0  0.98  1.0

data_TaGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.56
_cell_length_c   7.12
_cell_angle_alpha   105.74
_cell_angle_beta   101.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe2Pb
_chemical_formula_sum   'Ta1 Ge2 Pb1'
_cell_volume   90.26
_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  0.06  0.0  1.0
  Ge  Ge1  1  0.0  0.25  0.85  1.0
  Ge  Ge2  1  0.0  0.28  0.5  1.0
  Pb  Pb3  1  0.0  0.98  0.65  1.0

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