data_ScFeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   144.95
_cell_angle_beta   130.35
_cell_angle_gamma   62.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeTc2
_chemical_formula_sum   'Sc1 Fe1 Tc2'
_cell_volume   59.13
_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  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.41  1.0
  Tc  Tc2  1  0.0  0.16  0.14  1.0
  Tc  Tc3  1  0.55  0.0  0.27  1.0

data_ScFeTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.32
_cell_length_c   5.15
_cell_angle_alpha   114.82
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeTc2
_chemical_formula_sum   'Sc1 Fe1 Tc2'
_cell_volume   59.13
_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  0.59  0.59  0.59  1.0
  Tc  Tc2  1  0.28  0.73  0.28  1.0
  Tc  Tc3  1  0.86  0.02  0.02  1.0

Sc Fe Tc Tc