data_ZrPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.22
_cell_angle_alpha   95.71
_cell_angle_beta   95.71
_cell_angle_gamma   36.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPd2Cl
_chemical_formula_sum   'Zr1 Pd2 Cl1'
_cell_volume   73.84
_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
  Zr  Zr3  1  0.53  0.0  0.47  1.0
  Pd  Pd1  1  0.45  0.0  0.94  1.0
  Pd  Pd2  1  0.64  0.0  0.02  1.0
  Cl  Cl0  1  0.24  0.0  0.55  1.0

data_ZrPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.89
_cell_length_c   5.22
_cell_angle_alpha   95.71
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPd2Cl
_chemical_formula_sum   'Zr1 Pd2 Cl1'
_cell_volume   73.84
_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
  Zr  Zr0  1  0.0  0.47  0.53  1.0
  Pd  Pd1  1  0.0  0.36  0.98  1.0
  Pd  Pd2  1  0.0  0.55  0.06  1.0
  Cl  Cl3  1  0.0  0.76  0.45  1.0

Zr Pd Pd Cl