data_ScReTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReTc
_chemical_formula_sum   'Sc1 Re1 Tc1'
_cell_volume   49.84
_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  0.26  1.0
  Re  Re0  1  0.46  0.84  0.63  1.0
  Tc  Tc2  1  0.0  0.69  0.6  1.0

data_ScReTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReTc
_chemical_formula_sum   'Sc1 Re1 Tc1'
_cell_volume   49.84
_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  0.26  1.0
  Tc  Tc1  1  0.0  0.69  0.6  1.0
  Re  Re2  1  0.46  0.84  0.63  1.0

Sc Re Tc
Sc Re Tc 0 1 - - o 0 1 o - o 0 1 o o o 0 0 + + o 0 0 o + o 0 0 + o o 0 2 o o o 0 2 o - o 1 2 o o o 