data_LaTa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.66
_cell_angle_alpha   103.1
_cell_angle_beta   103.1
_cell_angle_gamma   36.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Pb
_chemical_formula_sum   'La1 Ta2 Pb1'
_cell_volume   96.91
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.39  0.0  0.69  1.0
  Ta  Ta3  1  0.58  0.0  0.81  1.0
  Pb  Pb1  1  0.49  0.0  0.75  1.0

data_LaTa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.44
_cell_length_c   5.66
_cell_angle_alpha   103.1
_cell_angle_beta   90.0
_cell_angle_gamma   108.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Pb
_chemical_formula_sum   'La1 Ta2 Pb1'
_cell_volume   96.91
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.42  0.19  1.0
  Ta  Ta2  1  0.0  0.61  0.31  1.0
  Pb  Pb3  1  0.0  0.51  0.25  1.0

La Ta Ta Pb