data_BaScPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   148.73
_cell_angle_beta   143.3
_cell_angle_gamma   48.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScPb
_chemical_formula_sum   'Ba1 Sc1 Pb1'
_cell_volume   105.61
_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  0.08  1.0
  Sc  Sc2  1  0.0  0.0  0.6  1.0
  Pb  Pb1  1  0.0  0.0  0.04  1.0

data_BaScPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.4
_cell_length_c   6.99
_cell_angle_alpha   108.35
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScPb
_chemical_formula_sum   'Ba1 Sc1 Pb1'
_cell_volume   105.61
_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  0.08  0.08  1.0
  Sc  Sc1  1  0.0  0.6  0.6  1.0
  Pb  Pb2  1  0.0  0.04  0.04  1.0

Ba Sc Pb
Ba Sc Pb 0 2 o o o 0 1 o o o 0 1 o o - 1 1 o + + 1 2 o o o 1 2 o o + 