data_ScReTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   145.57
_cell_angle_beta   130.35
_cell_angle_gamma   61.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReTc2
_chemical_formula_sum   'Sc1 Re1 Tc2'
_cell_volume   62.77
_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  0.27  1.0
  Re  Re0  1  0.0  0.22  0.46  1.0
  Tc  Tc2  1  0.0  0.22  0.05  1.0
  Tc  Tc3  1  0.0  0.0  0.81  1.0

data_ScReTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.43
_cell_length_c   5.28
_cell_angle_alpha   114.82
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReTc2
_chemical_formula_sum   'Sc1 Re1 Tc2'
_cell_volume   62.77
_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  0.73  0.73  0.73  1.0
  Tc  Tc1  1  0.19  0.19  0.19  1.0
  Re  Re2  1  0.54  0.76  0.76  1.0
  Tc  Tc3  1  0.95  0.16  0.16  1.0

Sc Re Tc Tc