data_BaTePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.81
_cell_length_c   4.29
_cell_angle_alpha   72.49
_cell_angle_beta   70.96
_cell_angle_gamma   36.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTePb
_chemical_formula_sum   'Ba1 Te1 Pb1'
_cell_volume   112.91
_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  0.97  0.1  0.08  1.0
  Te  Te2  1  0.97  0.1  0.79  1.0
  Pb  Pb1  1  0.97  0.1  0.66  1.0

data_BaTePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.93
_cell_length_b   12.27
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   133.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTePb
_chemical_formula_sum   'Ba2 Te2 Pb2'
_cell_volume   225.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.35  0.5  0.95  1.0
  Te  Te1  2  0.14  0.0  0.24  1.0
  Pb  Pb2  2  0.27  0.0  0.37  1.0

Ba Te Pb