data_CaSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   3.31
_cell_angle_alpha   103.96
_cell_angle_beta   103.96
_cell_angle_gamma   109.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSbPd2
_chemical_formula_sum   'Ca1 Sb1 Pd2'
_cell_volume   82.9
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.13  0.0  0.0  1.0
  Pd  Pd1  1  0.87  0.2  0.5  1.0
  Pd  Pd2  1  0.87  0.8  0.5  1.0

data_CaSbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   109.33
_cell_angle_beta   103.96
_cell_angle_gamma   103.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSbPd2
_chemical_formula_sum   'Ca1 Sb1 Pd2'
_cell_volume   82.9
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.13  0.0  1.0
  Pd  Pd2  1  0.5  0.87  0.2  1.0
  Pd  Pd3  1  0.5  0.87  0.8  1.0

Ca Sb Pd Pd