data_BaTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   149.21
_cell_angle_beta   148.83
_cell_angle_gamma   44.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe2Pb
_chemical_formula_sum   'Ba1 Te2 Pb1'
_cell_volume   157.02
_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  0.45  1.0
  Te  Te2  1  0.0  0.0  0.78  1.0
  Te  Te3  1  0.23  0.0  0.37  1.0
  Pb  Pb1  1  0.0  0.26  0.55  1.0

data_BaTe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.52
_cell_length_c   8.41
_cell_angle_alpha   105.58
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe2Pb
_chemical_formula_sum   'Ba1 Te2 Pb1'
_cell_volume   157.02
_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  0.55  0.55  0.55  1.0
  Te  Te1  1  0.22  0.22  0.22  1.0
  Te  Te2  1  0.87  0.63  0.87  1.0
  Pb  Pb3  1  0.45  0.71  0.71  1.0

Ba Te Te Pb
Ba Te Te Pb 0 3 o o o 0 1 o o o 1 2 o o + 2 3 o o o 