data_Ta2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   144.21
_cell_angle_beta   130.15
_cell_angle_gamma   62.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RuPb
_chemical_formula_sum   'Ta2 Ru1 Pb1'
_cell_volume   72.97
_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  Ta2  1  0.0  0.31  0.46  1.0
  Ta  Ta3  1  0.69  0.0  0.22  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.68  1.0

data_Ta2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.62
_cell_length_c   5.49
_cell_angle_alpha   114.92
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RuPb
_chemical_formula_sum   'Ta2 Ru1 Pb1'
_cell_volume   72.97
_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  0.22  0.53  1.0
  Ta  Ta1  1  0.69  0.15  0.15  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.68  0.68  1.0

Ta Ta Ru Pb