data_Ta3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Tc
_chemical_formula_sum   'Ta3 Tc1'
_cell_volume   70.49
_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  0.48  0.86  0.14  1.0
  Ta  Ta1  1  0.48  0.86  0.12  1.0
  Ta  Ta2  1  0.0  0.0  0.63  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Ta3Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Tc
_chemical_formula_sum   'Ta3 Tc1'
_cell_volume   70.49
_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  0.0  0.0  0.63  1.0
  Ta  Ta1  1  0.48  0.86  0.12  1.0
  Ta  Ta2  1  0.48  0.86  0.14  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

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