data_MnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPd3
_chemical_formula_sum   'Mn4 Pd12'
_cell_volume   243.22
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.54  1.0
  Mn  Mn2  1  0.0  0.21  0.27  1.0
  Mn  Mn3  1  0.78  0.61  0.81  1.0
  Pd  Pd4  1  0.61  0.41  0.0  1.0
  Pd  Pd5  1  0.61  0.41  0.54  1.0
  Pd  Pd6  1  0.0  0.6  0.81  1.0
  Pd  Pd7  1  0.6  0.02  0.81  1.0
  Pd  Pd8  1  0.38  0.8  0.27  1.0
  Pd  Pd9  1  0.78  0.0  0.0  1.0
  Pd  Pd10  1  0.78  0.0  0.54  1.0
  Pd  Pd11  1  0.39  0.41  0.0  1.0
  Pd  Pd12  1  0.39  0.41  0.54  1.0
  Pd  Pd13  1  0.4  0.02  0.81  1.0
  Pd  Pd14  1  0.18  0.8  0.27  1.0
  Pd  Pd15  1  0.78  0.22  0.27  1.0

data_MnPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPd3
_chemical_formula_sum   'Mn4 Pd12'
_cell_volume   243.22
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.54  1.0
  Mn  Mn2  1  0.0  0.21  0.27  1.0
  Mn  Mn3  1  0.78  0.61  0.81  1.0
  Pd  Pd4  1  0.0  0.6  0.81  1.0
  Pd  Pd5  1  0.18  0.8  0.27  1.0
  Pd  Pd6  1  0.38  0.8  0.27  1.0
  Pd  Pd7  1  0.39  0.41  -0.0  1.0
  Pd  Pd8  1  0.39  0.41  0.54  1.0
  Pd  Pd9  1  0.4  0.02  0.81  1.0
  Pd  Pd10  1  0.6  0.02  0.81  1.0
  Pd  Pd11  1  0.61  0.41  -0.0  1.0
  Pd  Pd12  1  0.61  0.41  0.54  1.0
  Pd  Pd13  1  0.78  0.0  -0.0  1.0
  Pd  Pd14  1  0.78  0.0  0.54  1.0
  Pd  Pd15  1  0.78  0.22  0.27  1.0

Mn Mn Mn Mn Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Mn Mn Mn Mn Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 9 - o o 1 10 - o o 2 15 - o o 3 6 + o o 4 11 o o o 5 12 o o o 7 13 o o o 8 14 o o o 