data_Sr2TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   132.02
_cell_angle_beta   132.02
_cell_angle_gamma   70.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaPd
_chemical_formula_sum   'Sr2 Ta1 Pd1'
_cell_volume   107.81
_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  0.37  0.0  0.39  1.0
  Sr  Sr2  1  0.0  0.37  0.39  1.0
  Ta  Ta3  1  0.0  0.0  0.78  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sr2TaPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   125.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TaPd
_chemical_formula_sum   'Sr4 Ta2 Pd2'
_cell_volume   215.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.3  0.31  0.99  1.0
  Ta  Ta1  2  0.22  0.0  0.22  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Sr Sr Ta Pd