data_Sr2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   3.91
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AsCl
_chemical_formula_sum   'Sr2 As1 Cl1'
_cell_volume   125.63
_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  Sr2  1  0.99  0.95  0.34  1.0
  Sr  Sr3  1  0.97  0.95  0.61  1.0
  As  As0  1  0.98  0.0  0.97  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Sr2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.04
_cell_length_c   7.95
_cell_angle_alpha   90.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AsCl
_chemical_formula_sum   'Sr2 As1 Cl1'
_cell_volume   125.63
_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  0.05  0.01  0.66  1.0
  Sr  Sr1  1  0.05  0.03  0.39  1.0
  As  As2  1  0.0  0.02  0.03  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Sr As Cl