data_ScGaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   146.58
_cell_angle_beta   139.83
_cell_angle_gamma   53.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaPb
_chemical_formula_sum   'Sc1 Ga1 Pb1'
_cell_volume   69.44
_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  0.64  1.0
  Ga  Ga0  1  0.0  0.0  0.29  1.0
  Pb  Pb1  1  0.0  0.0  0.87  1.0

data_ScGaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.99
_cell_length_c   5.82
_cell_angle_alpha   110.09
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaPb
_chemical_formula_sum   'Sc1 Ga1 Pb1'
_cell_volume   69.44
_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  0.64  0.64  1.0
  Ga  Ga1  1  0.0  0.29  0.29  1.0
  Pb  Pb2  1  0.0  0.87  0.87  1.0

Sc Ga Pb
Sc Ga Pb 0 2 o o o 0 1 o o o 1 2 o o - 