data_AsPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   148.97
_cell_angle_beta   148.6
_cell_angle_gamma   44.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPd2Cl
_chemical_formula_sum   'As1 Pd2 Cl1'
_cell_volume   74.93
_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
  As  As0  1  0.75  0.0  0.61  1.0
  Pd  Pd2  1  0.75  0.0  0.13  1.0
  Pd  Pd3  1  0.0  0.0  0.9  1.0
  Cl  Cl1  1  0.0  0.0  0.51  1.0

data_AsPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.54
_cell_length_c   6.54
_cell_angle_alpha   105.7
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPd2Cl
_chemical_formula_sum   'As1 Pd2 Cl1'
_cell_volume   74.93
_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
  As  As0  1  0.0  0.61  0.86  1.0
  Pd  Pd1  1  0.0  0.13  0.38  1.0
  Pd  Pd2  1  0.0  0.9  0.9  1.0
  Cl  Cl3  1  0.0  0.51  0.51  1.0

As Pd Pd Cl
As Pd Pd Cl 0 2 + o o 1 3 + o o 