data_NaSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   4.06
_cell_angle_alpha   92.04
_cell_angle_beta   92.04
_cell_angle_gamma   28.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSnSe2
_chemical_formula_sum   'Na1 Sn1 Se2'
_cell_volume   109.45
_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
  Na  Na0  1  0.17  0.0  0.45  1.0
  Sn  Sn3  1  0.48  0.0  0.58  1.0
  Se  Se1  1  0.22  0.0  0.64  1.0
  Se  Se2  1  0.71  0.0  0.47  1.0

data_NaSnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.06
_cell_length_c   7.55
_cell_angle_alpha   92.04
_cell_angle_beta   104.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSnSe2
_chemical_formula_sum   'Na1 Sn1 Se2'
_cell_volume   109.45
_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
  Na  Na0  1  0.0  0.45  0.17  1.0
  Sn  Sn1  1  0.0  0.58  0.48  1.0
  Se  Se2  1  0.0  0.47  0.71  1.0
  Se  Se3  1  0.0  0.64  0.22  1.0

Na Sn Se Se
Na Sn Se Se 0 2 o o o 1 2 o o o 1 3 o o o 