data_Mn2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   131.15
_cell_angle_beta   131.15
_cell_angle_gamma   71.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PPd
_chemical_formula_sum   'Mn2 P1 Pd1'
_cell_volume   47.78
_cell_formula_units_Z   1
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  0.58  1.0
  Mn  Mn1  1  0.0  0.83  0.79  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.83  0.0  0.79  1.0

data_Mn2PPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.42
_cell_angle_alpha   114.43
_cell_angle_beta   114.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PPd
_chemical_formula_sum   'Mn2 P1 Pd1'
_cell_volume   47.78
_cell_formula_units_Z   1
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  0.58  0.58  0.58  1.0
  Mn  Mn1  1  0.96  0.79  0.96  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.79  0.96  0.96  1.0

Mn Mn P Pd