data_CaInPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.44
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInPd2
_chemical_formula_sum   'Ca1 In1 Pd2'
_cell_volume   82.0
_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  0.12  0.0  0.16  1.0
  In  In1  1  0.53  0.22  0.36  1.0
  Pd  Pd2  1  0.35  0.0  0.94  1.0
  Pd  Pd3  1  0.91  0.22  0.51  1.0

data_CaInPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.44
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInPd2
_chemical_formula_sum   'Ca1 In1 Pd2'
_cell_volume   82.0
_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  0.12  0.0  0.16  1.0
  In  In1  1  0.53  0.22  0.36  1.0
  Pd  Pd2  1  0.35  0.0  0.94  1.0
  Pd  Pd3  1  0.91  0.22  0.51  1.0

Ca In Pd Pd