data_ScTl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.36
_cell_angle_alpha   107.45
_cell_angle_beta   107.45
_cell_angle_gamma   41.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Pd
_chemical_formula_sum   'Sc1 Tl2 Pd1'
_cell_volume   88.1
_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
  Tl  Tl2  1  0.8  0.0  0.37  1.0
  Tl  Tl3  1  1.0  0.0  0.71  1.0
  Pd  Pd0  1  0.9  0.0  0.54  1.0

data_ScTl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.1
_cell_length_c   5.36
_cell_angle_alpha   107.45
_cell_angle_beta   90.0
_cell_angle_gamma   110.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Pd
_chemical_formula_sum   'Sc1 Tl2 Pd1'
_cell_volume   88.1
_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
  Tl  Tl1  1  0.0  0.0  0.29  1.0
  Tl  Tl2  1  0.0  0.2  0.63  1.0
  Pd  Pd3  1  0.0  0.1  0.46  1.0

Sc Tl Tl Pd
Sc Tl Tl Pd 0 2 - o - 1 3 o o o 2 3 o o o 