data_SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.35
_cell_angle_alpha   111.16
_cell_angle_beta   111.16
_cell_angle_gamma   36.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAs
_chemical_formula_sum   'Sn2 As2'
_cell_volume   96.49
_cell_formula_units_Z   2
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
  Sn  Sn2  1  0.32  0.0  0.26  1.0
  Sn  Sn3  1  0.51  0.0  0.69  1.0
  As  As0  1  0.28  0.0  0.51  1.0
  As  As1  1  0.56  0.0  0.44  1.0

data_SnAs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.59
_cell_length_b   5.35
_cell_length_c   5.72
_cell_angle_alpha   111.16
_cell_angle_beta   108.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnAs
_chemical_formula_sum   'Sn2 As2'
_cell_volume   96.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Sn  Sn0  2  0.0  0.22  0.09  1.0
  As  As1  2  0.0  0.04  0.86  1.0

Sn Sn As As
Sn Sn As As 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 