data_YB2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.05
_cell_angle_alpha   97.89
_cell_angle_beta   97.89
_cell_angle_gamma   42.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YB2Pb
_chemical_formula_sum   'Y1 B2 Pb1'
_cell_volume   78.13
_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
  Y  Y3  1  0.58  0.0  0.71  1.0
  B  B0  1  0.91  0.0  0.48  1.0
  B  B1  1  0.36  0.0  0.55  1.0
  Pb  Pb2  1  0.35  0.0  0.22  1.0

data_YB2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.39
_cell_length_c   6.05
_cell_angle_alpha   97.89
_cell_angle_beta   90.0
_cell_angle_gamma   111.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YB2Pb
_chemical_formula_sum   'Y1 B2 Pb1'
_cell_volume   78.13
_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
  Y  Y0  1  0.0  0.42  0.29  1.0
  B  B1  1  0.0  0.09  0.52  1.0
  B  B2  1  0.0  0.64  0.45  1.0
  Pb  Pb3  1  0.0  0.65  0.78  1.0

Y B B Pb