data_TaPbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.34
_cell_angle_alpha   94.09
_cell_angle_beta   94.09
_cell_angle_gamma   92.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPbSe2
_chemical_formula_sum   'Ta1 Pb1 Se2'
_cell_volume   85.51
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.51  0.0  0.0  1.0
  Se  Se1  1  0.58  0.17  0.66  1.0
  Se  Se2  1  0.58  0.83  0.66  1.0

data_TaPbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   92.44
_cell_angle_beta   94.09
_cell_angle_gamma   94.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPbSe2
_chemical_formula_sum   'Ta1 Pb1 Se2'
_cell_volume   85.51
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.51  0.0  1.0
  Se  Se2  1  0.66  0.58  0.17  1.0
  Se  Se3  1  0.66  0.58  0.83  1.0

Ta Pb Se Se