data_Sc2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuTc
_chemical_formula_sum   'Sc2 Cu1 Tc1'
_cell_volume   68.86
_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  0.21  0.0  0.75  1.0
  Sc  Sc2  1  0.21  0.0  0.88  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.31  1.0

data_Sc2CuTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuTc
_chemical_formula_sum   'Sc2 Cu1 Tc1'
_cell_volume   68.86
_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  0.21  0.0  0.75  1.0
  Sc  Sc1  1  0.21  0.0  0.88  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.31  1.0

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