data_Sr(As3Pt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   12.09
_cell_angle_alpha   90.72
_cell_angle_beta   90.72
_cell_angle_gamma   88.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(As3Pt2)2
_chemical_formula_sum   'Sr2 As12 Pt8'
_cell_volume   441.87
_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
  Sr  Sr20  1  0.29  0.16  0.02  1.0
  Sr  Sr21  1  0.18  0.84  0.07  1.0
  As  As0  1  0.2  0.07  0.66  1.0
  As  As1  1  0.51  0.08  0.68  1.0
  As  As2  1  0.97  0.83  0.32  1.0
  As  As3  1  0.6  0.83  0.73  1.0
  As  As4  1  0.07  0.08  0.36  1.0
  As  As5  1  0.38  0.07  0.38  1.0
  As  As6  1  0.09  0.93  0.71  1.0
  As  As7  1  0.4  0.92  0.72  1.0
  As  As8  1  0.87  0.17  0.36  1.0
  As  As9  1  0.5  0.17  0.77  1.0
  As  As10  1  0.96  0.92  0.41  1.0
  As  As11  1  0.27  0.93  0.43  1.0
  Pt  Pt12  1  0.0  0.0  0.0  1.0
  Pt  Pt13  1  0.34  0.0  0.0  1.0
  Pt  Pt14  1  0.44  0.75  0.02  1.0
  Pt  Pt15  1  0.14  0.75  0.03  1.0
  Pt  Pt16  1  0.89  0.0  0.04  1.0
  Pt  Pt17  1  0.24  0.0  0.04  1.0
  Pt  Pt18  1  0.33  0.25  0.06  1.0
  Pt  Pt19  1  0.03  0.25  0.07  1.0

data_Sr(As3Pt2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   12.09
_cell_angle_alpha   89.28
_cell_angle_beta   89.28
_cell_angle_gamma   88.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(As3Pt2)2
_chemical_formula_sum   'Sr2 As12 Pt8'
_cell_volume   441.87
_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
  Sr  Sr0  1  0.71  0.84  0.02  1.0
  Sr  Sr1  1  0.82  0.16  0.07  1.0
  As  As2  1  0.03  0.17  0.32  1.0
  As  As3  1  0.04  0.08  0.41  1.0
  As  As4  1  0.13  0.83  0.36  1.0
  As  As5  1  0.4  0.17  0.73  1.0
  As  As6  1  0.49  0.92  0.68  1.0
  As  As7  1  0.5  0.83  0.77  1.0
  As  As8  1  0.6  0.08  0.72  1.0
  As  As9  1  0.62  0.93  0.38  1.0
  As  As10  1  0.73  0.07  0.43  1.0
  As  As11  1  0.8  0.93  0.66  1.0
  As  As12  1  0.91  0.07  0.71  1.0
  As  As13  1  0.93  0.92  0.36  1.0
  Pt  Pt14  1  0.0  0.0  0.0  1.0
  Pt  Pt15  1  0.11  0.0  0.04  1.0
  Pt  Pt16  1  0.56  0.25  0.02  1.0
  Pt  Pt17  1  0.66  0.0  0.0  1.0
  Pt  Pt18  1  0.67  0.75  0.06  1.0
  Pt  Pt19  1  0.76  0.0  0.04  1.0
  Pt  Pt20  1  0.86  0.25  0.03  1.0
  Pt  Pt21  1  0.97  0.75  0.07  1.0

Sr Sr As As As As As As As As As As As As Pt Pt Pt Pt Pt Pt Pt Pt
Sr Sr As As As As As As As As As As As As Pt Pt Pt Pt Pt Pt Pt Pt 0 20 o o o 0 21 o o o 1 17 o o o 1 16 o o o 2 8 o - o 3 9 o - o 3 11 o o o 4 12 o o o 5 9 o o o 6 12 - - o 6 10 - o o 7 13 o - o 14 18 - o o 14 21 o o o 15 19 o o o 15 16 o - o 16 19 o + o 16 17 o o o 18 21 + o o 19 21 o o o 20 21 o o o 