data_BaTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.9
_cell_angle_alpha   106.36
_cell_angle_beta   106.36
_cell_angle_gamma   51.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiSn2
_chemical_formula_sum   'Ba1 Ti1 Sn2'
_cell_volume   124.66
_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  0.34  0.0  0.27  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.09  0.0  1.0  1.0
  Sn  Sn2  1  0.6  0.0  0.55  1.0

data_BaTiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.92
_cell_length_c   6.9
_cell_angle_alpha   106.36
_cell_angle_beta   90.0
_cell_angle_gamma   115.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiSn2
_chemical_formula_sum   'Ba1 Ti1 Sn2'
_cell_volume   124.66
_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  0.66  0.73  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.4  0.45  1.0
  Sn  Sn3  1  0.0  0.91  0.0  1.0

Ba Ti Sn Sn