data_NaSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   142.83
_cell_angle_beta   131.77
_cell_angle_gamma   62.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Hg
_chemical_formula_sum   'Na1 Sn2 Hg1'
_cell_volume   107.71
_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  0.0  0.55  0.43  1.0
  Sn  Sn3  1  0.99  0.0  0.9  1.0
  Hg  Hg0  1  0.0  0.0  0.33  1.0

data_NaSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.09
_cell_length_c   6.23
_cell_angle_alpha   114.11
_cell_angle_beta   108.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Hg
_chemical_formula_sum   'Na1 Sn2 Hg1'
_cell_volume   107.71
_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  0.9  0.91  1.0
  Sn  Sn2  1  0.45  0.89  0.89  1.0
  Hg  Hg3  1  0.0  0.33  0.33  1.0

Na Sn Sn Hg