data_ScFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   136.18
_cell_angle_beta   136.18
_cell_angle_gamma   63.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Tc
_chemical_formula_sum   'Sc1 Fe2 Tc1'
_cell_volume   54.82
_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  Sc2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.14  1.0
  Fe  Fe1  1  0.0  0.82  0.07  1.0
  Tc  Tc3  1  0.82  0.0  0.07  1.0

data_ScFe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   4.87
_cell_angle_alpha   111.91
_cell_angle_beta   111.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Tc
_chemical_formula_sum   'Sc1 Fe2 Tc1'
_cell_volume   54.82
_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
  Fe  Fe1  1  0.75  0.82  0.75  1.0
  Fe  Fe2  1  0.86  0.0  0.86  1.0
  Tc  Tc3  1  0.93  0.0  0.75  1.0

Sc Fe Fe Tc