data_ScTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   132.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc
_chemical_formula_sum   'Sc2 Tc2'
_cell_volume   81.34
_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  0.13  0.52  0.98  1.0
  Sc  Sc1  1  0.13  0.48  0.95  1.0
  Tc  Tc2  1  0.13  0.36  0.98  1.0
  Tc  Tc3  1  0.13  0.64  0.95  1.0

data_ScTc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.94
_cell_length_b   4.27
_cell_length_c   5.29
_cell_angle_alpha   113.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScTc
_chemical_formula_sum   'Sc2 Tc2'
_cell_volume   81.34
_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  0.48  0.52  0.52  1.0
  Tc  Tc1  2  0.48  0.36  0.36  1.0

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