data_SrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29
_cell_length_b   9.52
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAs
_chemical_formula_sum   'Sr12 As12'
_cell_volume   701.86
_cell_formula_units_Z   12
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  Sr12  1  0.2  0.64  0.79  1.0
  Sr  Sr13  1  0.09  0.89  0.37  1.0
  Sr  Sr14  1  0.09  0.4  0.79  1.0
  Sr  Sr15  1  0.2  0.13  0.37  1.0
  Sr  Sr16  1  0.34  0.35  0.79  1.0
  Sr  Sr17  1  0.95  0.17  0.37  1.0
  Sr  Sr18  1  0.95  0.59  0.79  1.0
  Sr  Sr19  1  0.34  0.93  0.37  1.0
  Sr  Sr20  1  0.15  0.14  0.0  1.0
  Sr  Sr21  1  0.14  0.38  0.58  1.0
  Sr  Sr22  1  0.14  0.38  0.0  1.0
  Sr  Sr23  1  0.15  0.14  0.58  1.0
  As  As0  1  0.76  0.66  0.79  1.0
  As  As1  1  0.53  0.86  0.37  1.0
  As  As2  1  0.53  0.42  0.79  1.0
  As  As3  1  0.76  0.1  0.37  1.0
  As  As4  1  0.08  0.33  0.79  1.0
  As  As5  1  0.21  0.19  0.37  1.0
  As  As6  1  0.21  0.57  0.79  1.0
  As  As7  1  0.08  0.95  0.37  1.0
  As  As8  1  0.89  0.14  0.0  1.0
  As  As9  1  0.4  0.38  0.58  1.0
  As  As10  1  0.4  0.38  0.0  1.0
  As  As11  1  0.89  0.14  0.58  1.0

data_SrAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.16
_cell_length_b   9.52
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAs
_chemical_formula_sum   'Sr12 As12'
_cell_volume   701.86
_cell_formula_units_Z   12
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  -0.0  0.62  0.86  1.0
  Sr  Sr1  1  -0.0  0.86  0.85  1.0
  Sr  Sr2  1  0.21  0.36  0.8  1.0
  Sr  Sr3  1  0.21  0.41  0.05  1.0
  Sr  Sr4  1  0.21  0.6  0.91  1.0
  Sr  Sr5  1  0.21  0.65  0.66  1.0
  Sr  Sr6  1  0.42  0.62  0.86  1.0
  Sr  Sr7  1  0.42  0.86  0.85  1.0
  Sr  Sr8  1  0.63  0.07  0.66  1.0
  Sr  Sr9  1  0.63  0.11  0.91  1.0
  Sr  Sr10  1  0.63  0.83  0.05  1.0
  Sr  Sr11  1  0.63  0.87  0.8  1.0
  As  As12  1  -0.0  0.86  0.11  1.0
  As  As13  1  -0.0  0.62  0.6  1.0
  As  As14  1  0.21  0.34  0.24  1.0
  As  As15  1  0.21  0.43  0.79  1.0
  As  As16  1  0.21  0.58  0.47  1.0
  As  As17  1  0.21  0.67  0.92  1.0
  As  As18  1  0.42  0.62  0.6  1.0
  As  As19  1  0.42  0.86  0.11  1.0
  As  As20  1  0.63  0.05  0.92  1.0
  As  As21  1  0.63  0.14  0.47  1.0
  As  As22  1  0.63  0.81  0.79  1.0
  As  As23  1  0.63  0.9  0.24  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr As As As As As As As As As As As As