data_BaSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   148.1
_cell_angle_beta   123.11
_cell_angle_gamma   66.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2Pd
_chemical_formula_sum   'Ba1 Sn2 Pd1'
_cell_volume   112.06
_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  0.31  1.0
  Sn  Sn2  1  0.0  0.03  0.15  1.0
  Sn  Sn3  1  0.75  0.0  0.15  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_BaSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.05
_cell_length_c   6.35
_cell_angle_alpha   118.44
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2Pd
_chemical_formula_sum   'Ba1 Sn2 Pd1'
_cell_volume   112.06
_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  0.69  0.69  0.69  1.0
  Sn  Sn1  1  0.59  0.85  0.59  1.0
  Sn  Sn2  1  0.85  0.87  0.87  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ba Sn Sn Pd