data_AsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPt2
_chemical_formula_sum   'As2 Pt4'
_cell_volume   98.2
_cell_formula_units_Z   2
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  0.24  0.29  0.24  1.0
  As  As1  1  0.0  0.58  0.41  1.0
  Pt  Pt2  1  0.0  0.0  0.83  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pt  Pt4  1  0.24  0.29  0.41  1.0
  Pt  Pt5  1  0.0  0.58  0.24  1.0

data_AsPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPt2
_chemical_formula_sum   'As2 Pt4'
_cell_volume   98.2
_cell_formula_units_Z   2
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  0.58  0.41  1.0
  As  As1  1  0.24  0.29  0.24  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.83  1.0
  Pt  Pt4  1  0.0  0.58  0.24  1.0
  Pt  Pt5  1  0.24  0.29  0.41  1.0

As As Pt Pt Pt Pt
As As Pt Pt Pt Pt 0 4 o o o 1 5 o o o 2 3 o o + 