data_Ta2FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.21
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   98.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeTc
_chemical_formula_sum   'Ta2 Fe1 Tc1'
_cell_volume   61.58
_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
  Ta  Ta1  1  0.9  0.1  0.29  1.0
  Ta  Ta2  1  0.12  0.1  0.96  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.01  0.0  0.63  1.0

data_Ta2FeTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.21
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   98.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeTc
_chemical_formula_sum   'Ta2 Fe1 Tc1'
_cell_volume   61.58
_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
  Ta  Ta0  1  0.12  0.1  0.96  1.0
  Ta  Ta1  1  0.9  0.1  0.29  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.01  0.0  0.63  1.0

Ta Ta Fe Tc
Ta Ta Fe Tc 0 2 + o o 0 3 + o o 0 1 + o - 1 2 o o + 1 3 o o o 2 3 o o - 