data_FeCu2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.49
_cell_angle_alpha   99.18
_cell_angle_beta   99.18
_cell_angle_gamma   32.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu2Tc
_chemical_formula_sum   'Fe1 Cu2 Tc1'
_cell_volume   50.18
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.67  0.0  0.34  1.0
  Cu  Cu1  1  0.45  0.0  0.09  1.0
  Tc  Tc3  1  0.06  0.0  0.22  1.0

data_FeCu2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.49
_cell_length_c   4.61
_cell_angle_alpha   99.18
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu2Tc
_chemical_formula_sum   'Fe1 Cu2 Tc1'
_cell_volume   50.18
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.09  0.45  1.0
  Tc  Tc2  1  0.0  0.22  0.06  1.0
  Cu  Cu3  1  0.0  0.34  0.67  1.0

Fe Cu Cu Tc
Fe Cu Cu Tc 0 3 o o o 1 2 o o o 