data_YSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   139.92
_cell_angle_beta   136.91
_cell_angle_gamma   60.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2B
_chemical_formula_sum   'Y1 Sn2 B1'
_cell_volume   85.35
_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
  Y  Y3  1  0.0  0.0  0.02  1.0
  Sn  Sn1  1  0.99  0.0  0.36  1.0
  Sn  Sn2  1  0.0  0.13  0.66  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_YSn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.27
_cell_length_c   5.81
_cell_angle_alpha   111.54
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2B
_chemical_formula_sum   'Y1 Sn2 B1'
_cell_volume   85.35
_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
  Y  Y0  1  0.0  0.02  0.02  1.0
  Sn  Sn1  1  0.0  0.36  0.37  1.0
  Sn  Sn2  1  0.87  0.53  0.53  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Y Sn Sn B