data_Ta2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.82
_cell_angle_alpha   105.53
_cell_angle_beta   105.53
_cell_angle_gamma   32.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnPb
_chemical_formula_sum   'Ta2 Sn1 Pb1'
_cell_volume   85.97
_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  0.29  0.0  0.33  1.0
  Ta  Ta3  1  0.29  0.0  0.26  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.29  0.0  0.79  1.0

data_Ta2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.32
_cell_length_c   5.82
_cell_angle_alpha   105.53
_cell_angle_beta   90.0
_cell_angle_gamma   106.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnPb
_chemical_formula_sum   'Ta2 Sn1 Pb1'
_cell_volume   85.97
_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  0.71  0.67  1.0
  Ta  Ta1  1  0.0  0.71  0.74  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.71  0.21  1.0

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