data_NaSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   128.89
_cell_angle_beta   128.89
_cell_angle_gamma   75.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Se
_chemical_formula_sum   'Na1 Sn2 Se1'
_cell_volume   101.7
_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  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.41  1.0
  Sn  Sn3  1  0.0  0.4  0.21  1.0
  Se  Se1  1  0.4  0.0  0.21  1.0

data_NaSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.57
_cell_angle_alpha   115.56
_cell_angle_beta   115.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Se
_chemical_formula_sum   'Na1 Sn2 Se1'
_cell_volume   101.7
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.41  0.41  0.41  1.0
  Sn  Sn2  1  0.8  0.21  0.8  1.0
  Se  Se3  1  0.21  0.8  0.8  1.0

Na Sn Sn Se