data_Sc2AlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlTc
_chemical_formula_sum   'Sc2 Al1 Tc1'
_cell_volume   75.71
_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  0.78  0.0  0.22  1.0
  Sc  Sc2  1  0.0  0.0  0.38  1.0
  Al  Al0  1  0.0  0.0  0.53  1.0
  Tc  Tc3  1  0.78  0.0  0.34  1.0

data_Sc2AlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlTc
_chemical_formula_sum   'Sc2 Al1 Tc1'
_cell_volume   75.71
_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  0.38  1.0
  Sc  Sc1  1  0.78  0.0  0.22  1.0
  Al  Al2  1  0.0  0.0  0.53  1.0
  Tc  Tc3  1  0.78  0.0  0.34  1.0

Sc Sc Al Tc