data_Sc2AlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlTc
_chemical_formula_sum   'Sc2 Al1 Tc1'
_cell_volume   73.28
_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  0.68  0.68  0.76  1.0
  Sc  Sc2  1  0.68  0.68  0.73  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.24  1.0

data_Sc2AlTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2AlTc
_chemical_formula_sum   'Sc4 Al2 Tc2'
_cell_volume   146.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.18  0.5  0.73  1.0
  Sc  Sc1  2  0.18  0.5  0.76  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.24  1.0

Sc Sc Al Tc
Sc Sc Al Tc 0 1 o o o 2 3 o o o 