data_Sr3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   9.26
_cell_length_c   18.0
_cell_angle_alpha   90.0
_cell_angle_beta   91.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Pd
_chemical_formula_sum   'Sr18 Pd6'
_cell_volume   973.65
_cell_formula_units_Z   6
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  Sr6  1  0.91  0.06  0.03  1.0
  Sr  Sr7  1  0.69  0.67  0.23  1.0
  Sr  Sr8  1  0.76  0.49  0.46  1.0
  Sr  Sr9  1  0.59  0.77  0.53  1.0
  Sr  Sr10  1  0.65  0.59  0.76  1.0
  Sr  Sr11  1  0.44  0.19  0.96  1.0
  Sr  Sr12  1  0.42  0.31  0.89  1.0
  Sr  Sr13  1  0.55  0.31  0.19  1.0
  Sr  Sr14  1  0.83  0.31  0.38  1.0
  Sr  Sr15  1  0.91  0.82  0.03  1.0
  Sr  Sr16  1  0.69  0.22  0.23  1.0
  Sr  Sr17  1  0.76  0.14  0.46  1.0
  Sr  Sr18  1  0.59  0.12  0.53  1.0
  Sr  Sr19  1  0.65  0.04  0.76  1.0
  Sr  Sr20  1  0.44  0.43  0.96  1.0
  Sr  Sr21  1  0.92  0.94  0.11  1.0
  Sr  Sr22  1  0.52  0.94  0.62  1.0
  Sr  Sr23  1  0.8  0.94  0.8  1.0
  Pd  Pd0  1  0.63  0.31  0.49  1.0
  Pd  Pd1  1  0.97  0.31  0.26  1.0
  Pd  Pd2  1  0.62  0.31  0.12  1.0
  Pd  Pd3  1  0.71  0.94  0.5  1.0
  Pd  Pd4  1  0.73  0.94  0.87  1.0
  Pd  Pd5  1  0.37  0.94  0.73  1.0

data_Sr3Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.84
_cell_length_b   9.26
_cell_length_c   18.0
_cell_angle_alpha   90.0
_cell_angle_beta   91.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr3Pd
_chemical_formula_sum   'Sr18 Pd6'
_cell_volume   973.65
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.25  0.19  0.39  1.0
  Sr  Sr1  2  0.27  0.07  0.47  1.0
  Sr  Sr2  2  0.27  0.31  0.47  1.0
  Sr  Sr3  2  0.34  0.81  0.12  1.0
  Sr  Sr4  2  0.38  0.19  0.69  1.0
  Sr  Sr5  2  0.42  0.64  0.03  1.0
  Sr  Sr6  2  0.42  0.99  0.03  1.0
  Sr  Sr7  2  0.48  0.46  0.27  1.0
  Sr  Sr8  2  0.48  0.91  0.27  1.0
  Pd  Pd9  2  0.2  0.81  0.24  1.0
  Pd  Pd10  2  0.44  0.19  0.62  1.0
  Pd  Pd11  2  0.46  0.19  1.0  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Pd Pd Pd Pd Pd Pd
Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Pd Pd Pd Pd Pd Pd 0 15 o - o 1 20 o o o 1 7 o o o 1 19 o o o 1 10 o o o 1 8 o o o 1 15 o o o 1 9 o o o 2 18 o o o 2 8 o o o 3 21 o o o 3 16 o o o 4 14 o o o 4 6 o o o 4 23 o o o 4 16 o o o 4 13 o + o 4 22 o o o 4 17 o o o 5 6 o o o 6 14 o o o 7 10 o o o 7 20 o o o 8 11 o o o 8 18 o o o 8 19 o o o 9 15 o o o 10 19 o o o 11 12 o o o 11 21 o - o 11 18 o o o 12 21 o - o 12 18 o o o 12 16 o - o 13 17 o - o 13 23 o - o 16 23 o o o 16 21 o o o 17 22 o o o 