data_Sr4P6Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   78.96
_cell_angle_beta   78.96
_cell_angle_gamma   78.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4P6Pd
_chemical_formula_sum   'Sr8 P12 Pd2'
_cell_volume   516.59
_cell_formula_units_Z   2
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  Sr14  1  0.0  0.0  0.16  1.0
  Sr  Sr15  1  0.0  0.0  0.47  1.0
  Sr  Sr16  1  0.18  0.16  0.7  1.0
  Sr  Sr17  1  0.37  0.85  0.7  1.0
  Sr  Sr18  1  0.45  1.0  0.7  1.0
  Sr  Sr19  1  0.82  0.84  0.93  1.0
  Sr  Sr20  1  0.63  0.15  0.93  1.0
  Sr  Sr21  1  0.55  0.0  0.93  1.0
  P  P0  1  0.85  0.89  0.06  1.0
  P  P1  1  0.14  0.06  0.06  1.0
  P  P2  1  0.01  0.05  0.06  1.0
  P  P3  1  0.85  0.12  0.79  1.0
  P  P4  1  0.95  0.94  0.79  1.0
  P  P5  1  0.2  0.94  0.79  1.0
  P  P6  1  0.15  0.11  0.56  1.0
  P  P7  1  0.86  0.94  0.56  1.0
  P  P8  1  0.99  0.95  0.56  1.0
  P  P9  1  0.15  0.88  0.83  1.0
  P  P10  1  0.05  0.06  0.83  1.0
  P  P11  1  0.8  0.06  0.83  1.0
  Pd  Pd12  1  0.0  0.0  0.0  1.0
  Pd  Pd13  1  0.0  0.0  0.31  1.0

data_Sr4P6Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   78.96
_cell_angle_beta   78.96
_cell_angle_gamma   78.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4P6Pd
_chemical_formula_sum   'Sr8 P12 Pd2'
_cell_volume   516.59
_cell_formula_units_Z   2
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  0.0  0.0  0.53  1.0
  Sr  Sr1  1  0.0  0.0  0.84  1.0
  Sr  Sr2  1  0.0  0.55  0.3  1.0
  Sr  Sr3  1  0.15  0.63  0.3  1.0
  Sr  Sr4  1  0.16  0.18  0.07  1.0
  Sr  Sr5  1  0.84  0.82  0.3  1.0
  Sr  Sr6  1  0.85  0.37  0.07  1.0
  Sr  Sr7  1  1.0  0.45  0.07  1.0
  P  P8  1  0.05  0.01  0.44  1.0
  P  P9  1  0.06  0.8  0.21  1.0
  P  P10  1  0.06  0.14  0.44  1.0
  P  P11  1  0.06  0.05  0.21  1.0
  P  P12  1  0.11  0.15  0.94  1.0
  P  P13  1  0.12  0.85  0.17  1.0
  P  P14  1  0.88  0.15  0.21  1.0
  P  P15  1  0.89  0.85  0.44  1.0
  P  P16  1  0.94  0.95  0.17  1.0
  P  P17  1  0.94  0.86  0.94  1.0
  P  P18  1  0.94  0.2  0.17  1.0
  P  P19  1  0.95  0.99  0.94  1.0
  Pd  Pd20  1  0.0  0.0  0.0  1.0
  Pd  Pd21  1  0.0  0.0  0.69  1.0

Sr Sr Sr Sr Sr Sr Sr Sr P P P P P P P P P P P P Pd Pd