data_ScAl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   141.37
_cell_angle_beta   129.86
_cell_angle_gamma   65.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Tc
_chemical_formula_sum   'Sc1 Al2 Tc1'
_cell_volume   65.65
_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  0.45  1.0
  Al  Al0  1  0.0  0.0  0.66  1.0
  Al  Al1  1  0.71  0.0  0.12  1.0
  Tc  Tc3  1  0.0  0.19  0.24  1.0

data_ScAl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.39
_cell_length_c   5.18
_cell_angle_alpha   115.07
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Tc
_chemical_formula_sum   'Sc1 Al2 Tc1'
_cell_volume   65.65
_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  0.45  0.45  1.0
  Al  Al1  1  0.0  0.12  0.41  1.0
  Al  Al2  1  0.0  0.66  0.66  1.0
  Tc  Tc3  1  0.81  0.04  0.04  1.0

Sc Al Al Tc