data_SrAlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlAs2
_chemical_formula_sum   'Sr1 Al1 As2'
_cell_volume   112.05
_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
  Sr  Sr3  1  0.89  0.89  0.55  1.0
  Al  Al0  1  0.0  0.0  0.46  1.0
  As  As1  1  0.89  0.89  0.65  1.0
  As  As2  1  0.0  0.0  1.0  1.0

data_SrAlAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAlAs2
_chemical_formula_sum   'Sr2 Al2 As4'
_cell_volume   224.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.39  0.5  0.55  1.0
  Al  Al1  2  0.0  0.0  0.46  1.0
  As  As2  2  0.0  0.0  1.0  1.0
  As  As3  2  0.39  0.5  0.65  1.0

Sr Al As As
Sr Al As As 0 1 + + o 0 2 o o o 0 3 + + o 1 3 o o - 2 3 + + o 