data_TaPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   130.72
_cell_angle_beta   130.72
_cell_angle_gamma   72.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPdCl2
_chemical_formula_sum   'Ta1 Pd1 Cl2'
_cell_volume   66.3
_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  Ta3  1  0.0  0.0  0.96  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.05  0.98  1.0
  Cl  Cl1  1  0.05  0.0  0.98  1.0

data_TaPdCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   126.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaPdCl2
_chemical_formula_sum   'Ta2 Pd2 Cl4'
_cell_volume   132.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.0  0.04  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.04  0.02  0.06  1.0

Ta Pd Cl Cl