data_AsPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   144.36
_cell_angle_beta   106.6
_cell_angle_gamma   84.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPt2Cl
_chemical_formula_sum   'As1 Pt2 Cl1'
_cell_volume   79.89
_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  0.0  0.91  1.0
  Pt  Pt2  1  0.62  0.0  0.15  1.0
  Pt  Pt3  1  0.0  0.16  0.77  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_AsPt2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   73.4
_cell_angle_beta   72.18
_cell_angle_gamma   72.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPt2Cl
_chemical_formula_sum   'As1 Pt2 Cl1'
_cell_volume   79.89
_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  0.91  -0.0  0.09  1.0
  Pt  Pt1  1  0.53  0.62  0.85  1.0
  Pt  Pt2  1  0.77  -0.0  0.39  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

As Pt Pt Cl
As Pt Pt Cl 0 3 o o + 0 1 - o + 0 2 o o o 1 3 + o o 1 2 + o o 