data_FeB2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   132.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Pb
_chemical_formula_sum   'Fe1 B2 Pb1'
_cell_volume   57.99
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.51  0.59  0.0  1.0
  B  B1  1  0.51  0.41  0.0  1.0
  Pb  Pb3  1  0.51  0.0  0.77  1.0

data_FeB2Pb
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.03
_cell_length_b   5.55
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   113.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   FeB2Pb
_chemical_formula_sum   'Fe1 B2 Pb1'
_cell_volume   57.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  B  B1  2  0.41  0.0  0.92  1.0
  Pb  Pb2  1  0.0  0.23  0.5  1.0

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