data_BaNa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   121.03
_cell_angle_beta   121.03
_cell_angle_gamma   88.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Sn
_chemical_formula_sum   'Ba1 Na2 Sn1'
_cell_volume   125.86
_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
  Ba  Ba0  1  0.0  0.0  0.06  1.0
  Na  Na1  1  0.0  0.78  0.03  1.0
  Na  Na2  1  0.78  0.0  0.03  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_BaNa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   134.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNa2Sn
_chemical_formula_sum   'Ba2 Na4 Sn2'
_cell_volume   251.72
_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
  Ba  Ba0  2  0.44  0.5  0.94  1.0
  Na  Na1  4  0.36  0.39  0.75  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0

Ba Na Na Sn