data_ReBPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBPb
_chemical_formula_sum   'Re1 B1 Pb1'
_cell_volume   51.17
_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
  Re  Re2  1  0.0  0.81  0.5  1.0
  B  B0  1  0.0  0.0  0.58  1.0
  Pb  Pb1  1  0.57  0.91  0.9  1.0

data_ReBPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBPb
_chemical_formula_sum   'Re1 B1 Pb1'
_cell_volume   51.17
_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
  Re  Re0  1  -0.0  0.81  0.5  1.0
  B  B1  1  0.0  0.0  0.58  1.0
  Pb  Pb2  1  0.57  0.91  0.9  1.0

Re B Pb
Re B Pb 0 1 o + o 0 2 o o o 0 2 - o o 1 2 o o o 1 2 o - o 1 2 - - o 2 2 + + o 2 2 o + o 2 2 + o o 