data_Sc5Tc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   92.84
_cell_angle_beta   92.84
_cell_angle_gamma   154.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Tc4
_chemical_formula_sum   'Sc5 Tc4'
_cell_volume   161.31
_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  0.0  1.0
  Sc  Sc1  1  0.32  0.32  0.0  1.0
  Sc  Sc2  1  0.68  0.68  0.61  1.0
  Sc  Sc3  1  0.68  0.32  0.61  1.0
  Sc  Sc4  1  0.32  0.68  0.61  1.0
  Tc  Tc5  1  0.48  0.0  0.0  1.0
  Tc  Tc6  1  0.52  0.0  0.0  1.0
  Tc  Tc7  1  0.0  0.48  0.0  1.0
  Tc  Tc8  1  0.0  0.52  0.0  1.0

data_Sc5Tc4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.23
_cell_length_b   14.14
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   102.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc5Tc4
_chemical_formula_sum   'Sc10 Tc8'
_cell_volume   322.62
_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  4  0.11  0.18  0.61  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Sc  Sc2  2  0.18  0.5  -0.0  1.0
  Sc  Sc3  2  0.44  0.5  0.61  1.0
  Tc  Tc4  4  0.24  0.76  0.0  1.0
  Tc  Tc5  4  0.26  0.74  -0.0  1.0

Sc Sc Sc Sc Sc Tc Tc Tc Tc