data_SrAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.51
_cell_angle_alpha   93.99
_cell_angle_beta   93.99
_cell_angle_gamma   39.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsCl2
_chemical_formula_sum   'Sr1 As1 Cl2'
_cell_volume   112.61
_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  0.15  0.0  0.75  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.65  0.0  0.99  1.0
  Cl  Cl2  1  0.64  0.0  0.5  1.0

data_SrAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.51
_cell_length_c   5.68
_cell_angle_alpha   93.99
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsCl2
_chemical_formula_sum   'Sr1 As1 Cl2'
_cell_volume   112.61
_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  Sr0  1  0.0  0.75  0.15  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.5  0.64  1.0
  Cl  Cl3  1  0.0  0.99  0.65  1.0

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