data_Ba2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   133.61
_cell_angle_beta   133.61
_cell_angle_gamma   67.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AgPb
_chemical_formula_sum   'Ba2 Ag1 Pb1'
_cell_volume   145.52
_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  Ba1  1  0.58  0.0  0.72  1.0
  Ba  Ba2  1  0.0  0.0  0.45  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.58  0.72  1.0

data_Ba2AgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   6.56
_cell_angle_alpha   113.19
_cell_angle_beta   113.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AgPb
_chemical_formula_sum   'Ba2 Ag1 Pb1'
_cell_volume   145.52
_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  0.28  0.0  0.86  1.0
  Ba  Ba1  1  0.55  0.0  0.55  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.86  0.58  0.86  1.0

Ba Ba Ag Pb
Ba Ba Ag Pb 0 2 + o + 0 1 + o + 0 1 o o o 1 3 o o o 1 3 o - - 1 2 o o o 2 3 o - - 