data_BaTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.9
_cell_angle_alpha   113.05
_cell_angle_beta   113.05
_cell_angle_gamma   104.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTePd2
_chemical_formula_sum   'Ba1 Te1 Pd2'
_cell_volume   109.66
_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  0.36  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.11  0.84  0.89  1.0
  Pd  Pd2  1  0.11  0.16  0.89  1.0

data_BaTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   5.2
_cell_length_c   5.48
_cell_angle_alpha   114.95
_cell_angle_beta   113.05
_cell_angle_gamma   96.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTePd2
_chemical_formula_sum   'Ba1 Te1 Pd2'
_cell_volume   109.66
_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  0.36  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.05  0.16  0.28  1.0
  Pd  Pd3  1  0.72  0.84  0.95  1.0

Ba Te Pd Pd