data_SrCaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.66
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   91.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaPd2
_chemical_formula_sum   'Sr1 Ca1 Pd2'
_cell_volume   94.92
_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  Sr3  1  0.92  0.0  0.59  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.77  0.83  0.61  1.0
  Pd  Pd2  1  0.69  0.83  0.57  1.0

data_SrCaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.66
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   91.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaPd2
_chemical_formula_sum   'Sr1 Ca1 Pd2'
_cell_volume   94.92
_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  0.92  0.0  0.59  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.69  0.83  0.57  1.0
  Pd  Pd3  1  0.77  0.83  0.61  1.0

Sr Ca Pd Pd
Sr Ca Pd Pd 0 2 o - o 0 1 + o + 1 3 - - - 1 2 - - - 1 1 + o o 1 1 o + o 2 3 o o o 