data_ScTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.39
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc
_chemical_formula_sum   'Sc2 Tc2'
_cell_volume   70.07
_cell_formula_units_Z   2
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  0.77  0.3  0.52  1.0
  Sc  Sc1  1  0.9  0.1  0.76  1.0
  Tc  Tc2  1  0.9  0.1  0.19  1.0
  Tc  Tc3  1  0.77  0.3  0.1  1.0

data_ScTc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.02
_cell_length_b   4.39
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScTc
_chemical_formula_sum   'Sc2 Tc2'
_cell_volume   70.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.44  0.1  0.38  1.0
  Tc  Tc1  2  0.43  0.1  0.96  1.0

Sc Sc Tc Tc