data_B2MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   6.31
_cell_angle_alpha   116.93
_cell_angle_beta   116.93
_cell_angle_gamma   42.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoPb
_chemical_formula_sum   'B2 Mo1 Pb1'
_cell_volume   66.55
_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
  B  B0  1  0.23  0.0  0.46  1.0
  B  B1  1  0.58  0.0  0.05  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.41  0.0  0.76  1.0

data_B2MoPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.23
_cell_length_c   5.79
_cell_angle_alpha   76.32
_cell_angle_beta   74.67
_cell_angle_gamma   68.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoPb
_chemical_formula_sum   'B2 Mo1 Pb1'
_cell_volume   66.55
_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
  B  B0  1  0.0  0.53  0.05  1.0
  B  B1  1  0.0  0.77  0.46  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.65  0.76  1.0

B B Mo Pb
B B Mo Pb 0 3 o o o 1 3 o o - 1 2 + o o 1 2 o o o 2 3 - o - 