data_MnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   49.43
_cell_angle_beta   49.43
_cell_angle_gamma   49.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPd
_chemical_formula_sum   'Mn2 Pd2'
_cell_volume   55.35
_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  0.0  0.0  0.12  1.0
  Mn  Mn1  1  0.0  0.0  0.25  1.0
  Pd  Pd2  1  0.0  0.0  0.38  1.0
  Pd  Pd3  1  0.0  0.0  0.99  1.0

data_MnPd
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.82
_cell_length_b   3.94
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   118.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   MnPd
_chemical_formula_sum   'Mn4 Pd4'
_cell_volume   110.69
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.06  1.0
  Pd  Pd1  4  0.0  0.0  0.19  1.0

Mn Mn Pd Pd
Mn Mn Pd Pd 0 3 o o - 0 1 o o o 1 2 o o o 