data_Mn3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   5.17
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Pd
_chemical_formula_sum   'Mn6 Pd2'
_cell_volume   95.02
_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  0.21  1.0
  Mn  Mn1  1  0.02  0.25  0.84  1.0
  Mn  Mn2  1  0.0  0.34  0.7  1.0
  Mn  Mn3  1  0.02  0.58  0.33  1.0
  Mn  Mn4  1  0.02  0.92  0.84  1.0
  Mn  Mn5  1  0.0  0.83  0.7  1.0
  Pd  Pd6  1  0.02  0.0  0.56  1.0
  Pd  Pd7  1  0.0  0.58  0.98  1.0

data_Mn3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.54
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Pd
_chemical_formula_sum   'Mn6 Pd2'
_cell_volume   95.02
_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  0.3  0.17  1.0
  Mn  Mn1  1  0.0  0.3  0.66  1.0
  Mn  Mn2  1  0.0  0.79  0.0  1.0
  Mn  Mn3  1  0.98  0.16  0.08  1.0
  Mn  Mn4  1  0.98  0.16  0.75  1.0
  Mn  Mn5  1  0.98  0.67  0.42  1.0
  Pd  Pd6  1  0.0  0.02  0.42  1.0
  Pd  Pd7  1  0.98  0.44  0.0  1.0

Mn Mn Mn Mn Mn Mn Pd Pd