data_Sc2AlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   136.77
_cell_angle_beta   126.3
_cell_angle_gamma   71.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlTc
_chemical_formula_sum   'Sc2 Al1 Tc1'
_cell_volume   72.84
_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  0.32  0.9  1.0
  Sc  Sc2  1  0.89  0.0  0.27  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.17  1.0

data_Sc2AlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.63
_cell_length_c   5.13
_cell_angle_alpha   116.85
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlTc
_chemical_formula_sum   'Sc2 Al1 Tc1'
_cell_volume   72.84
_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  0.1  0.42  0.42  1.0
  Sc  Sc1  1  0.62  0.73  0.62  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.83  0.83  0.83  1.0

Sc Sc Al Tc