data_NaSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   132.1
_cell_angle_beta   132.1
_cell_angle_gamma   70.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Bi
_chemical_formula_sum   'Na1 Sn2 Bi1'
_cell_volume   113.73
_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  Na1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.42  0.0  0.44  1.0
  Sn  Sn3  1  0.0  0.0  0.87  1.0
  Bi  Bi0  1  0.0  0.42  0.44  1.0

data_NaSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.95
_cell_angle_alpha   113.95
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Bi
_chemical_formula_sum   'Na1 Sn2 Bi1'
_cell_volume   113.73
_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  0.44  0.02  0.02  1.0
  Sn  Sn2  1  0.87  0.87  0.87  1.0
  Bi  Bi3  1  0.02  0.44  0.02  1.0

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