data_Mn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   7.27
_cell_angle_alpha   152.65
_cell_angle_beta   152.65
_cell_angle_gamma   39.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Pd
_chemical_formula_sum   'Mn4 Pd2'
_cell_volume   80.86
_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
  Mn  Mn0  1  0.72  0.0  0.29  1.0
  Mn  Mn1  1  0.72  0.0  0.56  1.0
  Mn  Mn2  1  0.0  0.0  0.71  1.0
  Mn  Mn3  1  0.0  0.0  0.99  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.0  0.72  0.42  1.0

data_Mn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   7.27
_cell_angle_alpha   103.68
_cell_angle_beta   103.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Pd
_chemical_formula_sum   'Mn4 Pd2'
_cell_volume   80.86
_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
  Mn  Mn0  1  0.01  0.0  0.01  1.0
  Mn  Mn1  1  0.29  0.0  0.29  1.0
  Mn  Mn2  1  0.44  0.0  0.16  1.0
  Mn  Mn3  1  0.71  0.0  0.43  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.29  0.72  0.29  1.0

Mn Mn Mn Mn Pd Pd
Mn Mn Mn Mn Pd Pd 0 5 + - o 0 2 + o o 1 2 + o o 2 5 o - o 3 4 o o + 