data_TaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.26
_cell_length_c   2.35
_cell_angle_alpha   85.44
_cell_angle_beta   73.47
_cell_angle_gamma   21.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2
_chemical_formula_sum   'Ta1 Tc2'
_cell_volume   27.84
_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  0.0  1.0
  Tc  Tc1  1  0.08  0.09  0.1  1.0
  Tc  Tc2  1  0.08  0.09  0.24  1.0

data_TaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.16
_cell_length_b   2.35
_cell_length_c   6.26
_cell_angle_alpha   85.44
_cell_angle_beta   80.05
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2
_chemical_formula_sum   'Ta1 Tc2'
_cell_volume   27.84
_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  0.0  1.0
  Tc  Tc1  1  0.91  0.68  0.17  1.0
  Tc  Tc2  1  0.91  0.82  0.17  1.0

Ta Tc Tc
Ta Tc Tc 0 2 o o o 0 1 o o o 1 2 o o o 