data_BaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   50.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPb2
_chemical_formula_sum   'Ba2 Pb4'
_cell_volume   221.58
_cell_formula_units_Z   2
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  0.26  0.56  0.49  1.0
  Ba  Ba1  1  0.26  0.44  0.46  1.0
  Pb  Pb2  1  0.7  0.73  0.49  1.0
  Pb  Pb3  1  0.82  0.27  0.46  1.0
  Pb  Pb4  1  0.82  0.73  0.49  1.0
  Pb  Pb5  1  0.7  0.27  0.46  1.0

data_BaPb2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   6.93
_cell_angle_alpha   115.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaPb2
_chemical_formula_sum   'Ba2 Pb4'
_cell_volume   221.58
_cell_formula_units_Z   2
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
  Ba  Ba0  2  0.49  0.44  0.94  1.0
  Pb  Pb1  2  0.49  0.27  0.21  1.0
  Pb  Pb2  2  0.49  0.27  0.34  1.0

Ba Ba Pb Pb Pb Pb