data_TcBiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   3.23
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   117.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBiCl2
_chemical_formula_sum   'Tc1 Bi1 Cl2'
_cell_volume   94.55
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.79  0.0  0.0  1.0
  Cl  Cl1  1  0.85  0.61  0.47  1.0
  Cl  Cl2  1  0.03  0.61  0.79  1.0

data_TcBiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.58
_cell_length_c   5.9
_cell_angle_alpha   117.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBiCl2
_chemical_formula_sum   'Tc1 Bi1 Cl2'
_cell_volume   94.55
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.21  0.0  1.0
  Cl  Cl2  1  0.39  0.15  0.53  1.0
  Cl  Cl3  1  0.39  0.97  0.21  1.0

Tc Bi Cl Cl