data_TlPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   3.31
_cell_angle_alpha   106.4
_cell_angle_beta   106.4
_cell_angle_gamma   114.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPd2Cl
_chemical_formula_sum   'Tl1 Pd2 Cl1'
_cell_volume   78.73
_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
  Tl  Tl3  1  0.01  0.0  0.0  1.0
  Pd  Pd1  1  0.65  0.32  0.41  1.0
  Pd  Pd2  1  0.65  0.68  0.41  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.15
_cell_length_c   5.52
_cell_angle_alpha   117.07
_cell_angle_beta   106.4
_cell_angle_gamma   92.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPd2Cl
_chemical_formula_sum   'Tl1 Pd2 Cl1'
_cell_volume   78.73
_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
  Tl  Tl0  1  0.0  0.0  0.01  1.0
  Pd  Pd1  1  0.1  0.68  0.33  1.0
  Pd  Pd2  1  0.73  0.32  0.96  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Pd Pd Cl