data_ScTaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   3.24
_cell_angle_alpha   103.09
_cell_angle_beta   103.09
_cell_angle_gamma   111.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaPb2
_chemical_formula_sum   'Sc1 Ta1 Pb2'
_cell_volume   92.88
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.26  0.0  0.0  1.0
  Pb  Pb0  1  0.98  0.6  0.48  1.0
  Pb  Pb1  1  0.98  0.4  0.48  1.0

data_ScTaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   111.68
_cell_angle_beta   103.09
_cell_angle_gamma   103.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaPb2
_chemical_formula_sum   'Sc1 Ta1 Pb2'
_cell_volume   92.88
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.26  0.0  1.0
  Pb  Pb2  1  0.48  0.98  0.6  1.0
  Pb  Pb3  1  0.48  0.98  0.4  1.0

Sc Ta Pb Pb