data_LaTa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Pb
_chemical_formula_sum   'La1 Ta2 Pb1'
_cell_volume   93.51
_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  0.6  0.59  0.52  1.0
  Ta  Ta3  1  0.6  0.41  0.52  1.0
  Pb  Pb1  1  0.2  0.0  0.0  1.0

data_LaTa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   112.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Pb
_chemical_formula_sum   'La1 Ta2 Pb1'
_cell_volume   93.51
_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  0.52  0.6  0.59  1.0
  Ta  Ta2  1  0.52  0.6  0.41  1.0
  Pb  Pb3  1  -0.0  0.2  0.0  1.0

La Ta Ta Pb