data_SrCaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   138.34
_cell_angle_beta   138.34
_cell_angle_gamma   60.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaPd2
_chemical_formula_sum   'Sr1 Ca1 Pd2'
_cell_volume   95.19
_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  0.0  0.14  0.6  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.14  0.0  0.6  1.0
  Pd  Pd2  1  0.0  0.0  0.2  1.0

data_SrCaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.02
_cell_angle_alpha   110.83
_cell_angle_beta   110.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaPd2
_chemical_formula_sum   'Sr1 Ca1 Pd2'
_cell_volume   95.19
_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  0.54  0.14  0.54  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.4  0.0  0.54  1.0
  Pd  Pd3  1  0.8  0.0  0.8  1.0

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