data_TcAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   7.24
_cell_angle_alpha   119.37
_cell_angle_beta   119.37
_cell_angle_gamma   35.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAuCl2
_chemical_formula_sum   'Tc1 Au1 Cl2'
_cell_volume   111.75
_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
  Tc  Tc3  1  0.77  0.0  0.58  1.0
  Au  Au0  1  0.25  0.0  0.7  1.0
  Cl  Cl1  1  0.04  0.0  0.84  1.0
  Cl  Cl2  1  0.25  0.0  0.19  1.0

data_TcAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.57
_cell_length_c   6.63
_cell_angle_alpha   72.29
_cell_angle_beta   75.16
_cell_angle_gamma   72.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAuCl2
_chemical_formula_sum   'Tc1 Au1 Cl2'
_cell_volume   111.75
_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
  Tc  Tc0  1  0.0  0.19  0.58  1.0
  Au  Au1  1  0.0  0.55  0.7  1.0
  Cl  Cl2  1  0.0  0.07  0.19  1.0
  Cl  Cl3  1  0.0  0.19  0.84  1.0

Tc Au Cl Cl