data_BaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   142.78
_cell_angle_beta   133.56
_cell_angle_gamma   60.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn
_chemical_formula_sum   'Ba2 Sn2'
_cell_volume   150.58
_cell_formula_units_Z   2
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  0.24  0.61  0.71  1.0
  Ba  Ba1  1  0.0  0.16  0.35  1.0
  Sn  Sn2  1  0.0  0.39  0.01  1.0
  Sn  Sn3  1  0.24  0.39  0.04  1.0

data_BaSn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   5.54
_cell_length_c   7.03
_cell_angle_alpha   113.22
_cell_angle_beta   108.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaSn
_chemical_formula_sum   'Ba2 Sn2'
_cell_volume   150.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.44  0.55  0.67  1.0
  Sn  Sn1  2  0.11  0.98  0.11  1.0

Ba Ba Sn Sn