data_TaPb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPb5
_chemical_formula_sum   'Ta1 Pb5'
_cell_volume   194.32
_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  Ta5  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.08  0.78  0.0  1.0
  Pb  Pb1  1  0.0  0.55  0.0  1.0
  Pb  Pb2  1  0.46  0.67  0.96  1.0
  Pb  Pb3  1  0.54  0.67  0.96  1.0
  Pb  Pb4  1  0.08  0.0  0.96  1.0

data_TaPb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.92
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPb5
_chemical_formula_sum   'Ta1 Pb5'
_cell_volume   194.32
_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  0.0  0.0  1.0
  Pb  Pb1  1  -0.0  0.08  0.78  1.0
  Pb  Pb2  1  -0.0  0.0  0.55  1.0
  Pb  Pb3  1  0.96  0.08  0.0  1.0
  Pb  Pb4  1  0.96  0.46  0.67  1.0
  Pb  Pb5  1  0.96  0.54  0.67  1.0

Ta Pb Pb Pb Pb Pb