data_Cu2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.56
_cell_angle_alpha   93.42
_cell_angle_beta   93.42
_cell_angle_gamma   59.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BPb
_chemical_formula_sum   'Cu2 B1 Pb1'
_cell_volume   64.38
_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  0.2  0.0  0.54  1.0
  Cu  Cu2  1  0.55  0.0  0.97  1.0
  B  B0  1  0.09  0.0  0.02  1.0
  Pb  Pb3  1  0.53  0.0  0.8  1.0

data_Cu2BPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.67
_cell_length_b   6.32
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   93.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2BPb
_chemical_formula_sum   'Cu4 B2 Pb2'
_cell_volume   128.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.3  0.5  0.46  1.0
  Cu  Cu1  2  0.45  0.0  0.03  1.0
  B  B2  2  0.41  0.5  0.98  1.0
  Pb  Pb3  2  0.47  0.0  0.2  1.0

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