data_Sr2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnAs
_chemical_formula_sum   'Sr2 Sn1 As1'
_cell_volume   140.42
_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  0.0  0.0  0.6  1.0
  Sr  Sr3  1  0.71  0.0  0.06  1.0
  Sn  Sn1  1  0.71  0.0  0.85  1.0
  As  As0  1  0.0  0.0  0.93  1.0

data_Sr2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnAs
_chemical_formula_sum   'Sr2 Sn1 As1'
_cell_volume   140.42
_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  0.0  0.6  1.0
  Sr  Sr1  1  0.71  0.0  0.06  1.0
  Sn  Sn2  1  0.71  0.0  0.85  1.0
  As  As3  1  0.0  0.0  0.93  1.0

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