data_SnSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   145.92
_cell_angle_beta   127.14
_cell_angle_gamma   64.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSb2Se
_chemical_formula_sum   'Sn1 Sb2 Se1'
_cell_volume   104.36
_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
  Sn  Sn3  1  0.0  0.0  0.23  1.0
  Sb  Sb0  1  0.81  0.0  0.41  1.0
  Sb  Sb1  1  0.0  0.75  0.82  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_SnSb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.5
_cell_length_c   6.18
_cell_angle_alpha   116.43
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSb2Se
_chemical_formula_sum   'Sn1 Sb2 Se1'
_cell_volume   104.36
_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
  Sn  Sn0  1  0.0  0.23  0.23  1.0
  Sb  Sb1  1  0.0  0.41  0.6  1.0
  Sb  Sb2  1  0.25  0.07  0.07  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sn Sb Sb Se
Sn Sb Sb Se 0 2 o - - 0 3 o o o 0 1 - o o 2 3 o + + 