data_ScTePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTePb
_chemical_formula_sum   'Sc1 Te1 Pb1'
_cell_volume   86.58
_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  Sc1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.86  0.0  1.0
  Pb  Pb0  1  0.47  0.43  0.04  1.0

data_ScTePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTePb
_chemical_formula_sum   'Sc1 Te1 Pb1'
_cell_volume   86.58
_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
  Te  Te1  1  -0.0  0.0  0.86  1.0
  Pb  Pb2  1  0.04  0.47  0.43  1.0

Sc Te Pb
Sc Te Pb 0 1 o - o 0 2 o o o 0 2 - - o 1 2 o + o 1 2 - o o 