data_Cu2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   5.91
_cell_angle_alpha   108.37
_cell_angle_beta   108.37
_cell_angle_gamma   58.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BPb
_chemical_formula_sum   'Cu2 B1 Pb1'
_cell_volume   63.79
_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
  Cu  Cu1  1  0.02  0.0  0.95  1.0
  Cu  Cu2  1  0.27  0.0  0.56  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.14  0.0  0.76  1.0

data_Cu2BPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.68
_cell_length_c   5.9
_cell_angle_alpha   72.03
_cell_angle_beta   72.21
_cell_angle_gamma   60.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BPb
_chemical_formula_sum   'Cu2 B1 Pb1'
_cell_volume   63.79
_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
  Cu  Cu0  1  0.0  0.07  0.95  1.0
  Cu  Cu1  1  0.0  0.71  0.56  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.39  0.76  1.0

Cu Cu B Pb