data_ScTePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   5.94
_cell_length_c   5.27
_cell_angle_alpha   77.96
_cell_angle_beta   55.24
_cell_angle_gamma   46.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTePb
_chemical_formula_sum   'Sc1 Te1 Pb1'
_cell_volume   126.32
_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  0.56  0.61  0.18  1.0
  Te  Te2  1  0.56  0.61  0.52  1.0
  Pb  Pb0  1  0.56  0.61  0.02  1.0

data_ScTePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   10.72
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   119.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTePb
_chemical_formula_sum   'Sc2 Te2 Pb2'
_cell_volume   252.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.16  0.5  0.27  1.0
  Te  Te1  2  0.31  0.0  0.92  1.0
  Pb  Pb2  2  0.31  0.5  0.42  1.0

Sc Te Pb
Sc Te Pb 0 2 o o o 0 1 o o o 