data_Sr2TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   135.96
_cell_angle_beta   135.96
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaPd
_chemical_formula_sum   'Sr2 Ta1 Pd1'
_cell_volume   110.08
_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
  Sr  Sr1  1  0.0  0.3  0.6  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.3  0.0  0.6  1.0
  Pd  Pd0  1  0.0  0.0  0.2  1.0

data_Sr2TaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.13
_cell_angle_alpha   112.02
_cell_angle_beta   112.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaPd
_chemical_formula_sum   'Sr2 Ta1 Pd1'
_cell_volume   110.08
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.3  0.6  0.3  1.0
  Ta  Ta2  1  0.6  0.3  0.3  1.0
  Pd  Pd3  1  0.2  0.2  0.2  1.0

Sr Sr Ta Pd