data_TlPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.59
_cell_angle_alpha   109.32
_cell_angle_beta   109.32
_cell_angle_gamma   38.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPd2Cl
_chemical_formula_sum   'Tl1 Pd2 Cl1'
_cell_volume   77.54
_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  0.6  0.0  0.62  1.0
  Pd  Pd1  1  0.29  0.0  0.38  1.0
  Pd  Pd2  1  0.92  0.0  0.86  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   3.23
_cell_length_b   4.86
_cell_length_c   5.59
_cell_angle_alpha   109.32
_cell_angle_beta   90.0
_cell_angle_gamma   109.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPd2Cl
_chemical_formula_sum   'Tl1 Pd2 Cl1'
_cell_volume   77.54
_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  0.4  0.38  1.0
  Pd  Pd1  1  0.0  0.08  0.14  1.0
  Pd  Pd2  1  0.0  0.71  0.62  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Pd Pd Cl