data_BaYSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   146.34
_cell_angle_beta   141.63
_cell_angle_gamma   51.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYSn2
_chemical_formula_sum   'Ba1 Y1 Sn2'
_cell_volume   139.29
_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  0.15  0.0  0.94  1.0
  Y  Y3  1  0.0  0.0  0.36  1.0
  Sn  Sn1  1  0.0  0.0  0.1  1.0
  Sn  Sn2  1  0.0  0.44  0.26  1.0

data_BaYSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.87
_cell_length_c   7.41
_cell_angle_alpha   109.18
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYSn2
_chemical_formula_sum   'Ba1 Y1 Sn2'
_cell_volume   139.29
_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  0.94  0.79  1.0
  Y  Y1  1  0.0  0.36  0.36  1.0
  Sn  Sn2  1  0.0  0.1  0.1  1.0
  Sn  Sn3  1  0.56  0.82  0.82  1.0

Ba Y Sn Sn