data_Sc2TaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.6
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaTc
_chemical_formula_sum   'Sc2 Ta1 Tc1'
_cell_volume   74.17
_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  0.13  0.3  0.3  1.0
  Sc  Sc1  1  0.44  0.3  0.13  1.0
  Ta  Ta2  1  0.78  0.0  0.71  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Sc2TaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.6
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaTc
_chemical_formula_sum   'Sc2 Ta1 Tc1'
_cell_volume   74.17
_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  0.13  0.3  0.3  1.0
  Sc  Sc1  1  0.44  0.3  0.13  1.0
  Ta  Ta2  1  0.78  0.0  0.71  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Sc Sc Ta Tc
Sc Sc Ta Tc 0 1 o o o 2 3 + o + 