data_TaTcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcCl
_chemical_formula_sum   'Ta1 Tc1 Cl1'
_cell_volume   48.49
_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  Ta1  1  0.17  0.25  0.57  1.0
  Tc  Tc2  1  0.0  0.51  0.34  1.0
  Cl  Cl0  1  0.0  0.0  0.06  1.0

data_TaTcCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcCl
_chemical_formula_sum   'Ta1 Tc1 Cl1'
_cell_volume   48.49
_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  0.57  0.17  0.25  1.0
  Tc  Tc1  1  0.34  -0.0  0.51  1.0
  Cl  Cl2  1  0.06  0.0  0.0  1.0

Ta Tc Cl