data_BaTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTePb2
_chemical_formula_sum   'Ba1 Te1 Pb2'
_cell_volume   139.31
_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  0.67  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.9  0.0  0.81  1.0
  Pb  Pb2  1  0.9  0.0  0.52  1.0

data_BaTePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTePb2
_chemical_formula_sum   'Ba1 Te1 Pb2'
_cell_volume   139.31
_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  0.67  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.9  0.0  0.52  1.0
  Pb  Pb3  1  0.9  0.0  0.81  1.0

Ba Te Pb Pb