data_Ba2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   133.74
_cell_angle_beta   133.74
_cell_angle_gamma   67.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuPb
_chemical_formula_sum   'Ba2 Cu1 Pb1'
_cell_volume   136.54
_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
  Ba  Ba0  1  0.0  0.0  0.35  1.0
  Ba  Ba1  1  0.53  0.0  0.67  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.53  0.67  1.0

data_Ba2CuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.43
_cell_angle_alpha   113.13
_cell_angle_beta   113.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuPb
_chemical_formula_sum   'Ba2 Cu1 Pb1'
_cell_volume   136.54
_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
  Ba  Ba0  1  0.33  0.0  0.85  1.0
  Ba  Ba1  1  0.65  0.0  0.65  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.85  0.53  0.85  1.0

Ba Ba Cu Pb