data_BaTl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   143.54
_cell_angle_beta   124.46
_cell_angle_gamma   68.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Pd
_chemical_formula_sum   'Ba1 Tl2 Pd1'
_cell_volume   118.8
_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  0.19  1.0
  Tl  Tl2  1  0.0  0.92  0.07  1.0
  Tl  Tl3  1  0.96  0.0  0.12  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_BaTl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.84
_cell_length_c   6.27
_cell_angle_alpha   117.77
_cell_angle_beta   108.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Pd
_chemical_formula_sum   'Ba1 Tl2 Pd1'
_cell_volume   118.8
_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  0.19  0.19  1.0
  Tl  Tl1  1  0.0  0.12  0.15  1.0
  Tl  Tl2  1  0.08  0.15  0.15  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ba Tl Tl Pd