data_TaRuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.28
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRuPb2
_chemical_formula_sum   'Ta1 Ru1 Pb2'
_cell_volume   91.71
_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  0.46  0.64  0.63  1.0
  Ru  Ru2  1  0.85  0.0  0.91  1.0
  Pb  Pb0  1  0.08  0.0  0.42  1.0
  Pb  Pb1  1  0.44  0.64  1.0  1.0

data_TaRuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.28
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRuPb2
_chemical_formula_sum   'Ta1 Ru1 Pb2'
_cell_volume   91.71
_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  0.46  0.64  0.63  1.0
  Ru  Ru1  1  0.85  0.0  0.91  1.0
  Pb  Pb2  1  0.08  0.0  0.42  1.0
  Pb  Pb3  1  0.44  0.64  1.0  1.0

Ta Ru Pb Pb