data_BaSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   6.08
_cell_angle_alpha   113.69
_cell_angle_beta   113.69
_cell_angle_gamma   36.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2B
_chemical_formula_sum   'Ba1 Sn2 B1'
_cell_volume   110.13
_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  Ba1  1  0.28  0.0  0.07  1.0
  Sn  Sn2  1  0.92  0.0  0.59  1.0
  Sn  Sn3  1  0.14  0.0  0.97  1.0
  B  B0  1  0.22  0.0  0.63  1.0

data_BaSn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.77
_cell_length_c   6.08
_cell_angle_alpha   113.69
_cell_angle_beta   90.0
_cell_angle_gamma   108.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2B
_chemical_formula_sum   'Ba1 Sn2 B1'
_cell_volume   110.13
_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  0.72  0.93  1.0
  Sn  Sn1  1  0.0  0.08  0.41  1.0
  Sn  Sn2  1  0.0  0.86  0.03  1.0
  B  B3  1  0.0  0.78  0.37  1.0

Ba Sn Sn B