data_TaTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.92
_cell_angle_alpha   103.06
_cell_angle_beta   103.06
_cell_angle_gamma   118.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Cl
_chemical_formula_sum   'Ta1 Tc2 Cl1'
_cell_volume   62.79
_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  0.68  0.0  0.0  1.0
  Tc  Tc2  1  0.7  0.77  0.31  1.0
  Tc  Tc3  1  0.7  0.23  0.31  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TaTc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.85
_cell_length_c   5.21
_cell_angle_alpha   115.63
_cell_angle_beta   103.06
_cell_angle_gamma   96.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Cl
_chemical_formula_sum   'Ta1 Tc2 Cl1'
_cell_volume   62.79
_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  0.68  1.0
  Tc  Tc1  1  0.08  0.77  0.47  1.0
  Tc  Tc2  1  0.54  0.23  0.93  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Tc Tc Cl