data_NaSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   9.31
_cell_angle_alpha   24.81
_cell_angle_beta   24.81
_cell_angle_gamma   24.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Te
_chemical_formula_sum   'Na1 Sn2 Te1'
_cell_volume   124.91
_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  0.0  0.0  0.5  1.0
  Sn  Sn2  1  0.0  0.0  0.55  1.0
  Te  Te3  1  0.0  0.0  0.53  1.0

data_NaSn2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.93
_cell_length_b   4.0
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   104.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSn2Te
_chemical_formula_sum   'Na2 Sn4 Te2'
_cell_volume   249.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.45  1.0
  Sn  Sn2  2  0.0  0.0  0.5  1.0
  Te  Te3  2  0.0  0.0  0.47  1.0

Na Sn Sn Te
Na Sn Sn Te 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o - 0 2 o o - 0 1 o o - 0 1 o o o 1 3 o o o 2 3 o o o 