data_Ta2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   134.24
_cell_angle_beta   134.24
_cell_angle_gamma   66.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiPb
_chemical_formula_sum   'Ta2 Ni1 Pb1'
_cell_volume   71.48
_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  0.0  0.35  1.0
  Ta  Ta3  1  0.0  0.03  0.18  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.03  0.0  0.18  1.0

data_Ta2NiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.21
_cell_angle_alpha   112.88
_cell_angle_beta   112.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiPb
_chemical_formula_sum   'Ta2 Ni1 Pb1'
_cell_volume   71.48
_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  0.65  0.0  0.65  1.0
  Ta  Ta1  1  0.85  0.03  0.85  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.82  0.0  0.85  1.0

Ta Ta Ni Pb