data_CrPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   152.06
_cell_angle_beta   148.97
_cell_angle_gamma   42.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPdCl2
_chemical_formula_sum   'Cr1 Pd1 Cl2'
_cell_volume   81.47
_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
  Cr  Cr2  1  0.0  0.0  0.13  1.0
  Pd  Pd3  1  0.0  0.86  0.92  1.0
  Cl  Cl0  1  0.0  0.0  0.87  1.0
  Cl  Cl1  1  0.68  0.0  0.07  1.0

data_CrPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.73
_cell_length_c   6.97
_cell_angle_alpha   105.52
_cell_angle_beta   103.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPdCl2
_chemical_formula_sum   'Cr1 Pd1 Cl2'
_cell_volume   81.47
_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
  Cr  Cr0  1  0.87  0.87  0.87  1.0
  Pd  Pd1  1  0.08  0.94  0.94  1.0
  Cl  Cl2  1  0.13  0.13  0.13  1.0
  Cl  Cl3  1  0.62  0.93  0.62  1.0

Cr Pd Cl Cl