data_MnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99
_cell_length_b   9.99
_cell_length_c   9.99
_cell_angle_alpha   163.55
_cell_angle_beta   159.53
_cell_angle_gamma   26.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPd2
_chemical_formula_sum   'Mn2 Pd4'
_cell_volume   98.64
_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  0.89  0.06  1.0
  Mn  Mn1  1  0.43  0.89  0.66  1.0
  Pd  Pd2  1  0.0  0.89  0.98  1.0
  Pd  Pd3  1  0.43  0.89  0.75  1.0
  Pd  Pd4  1  0.0  0.89  0.73  1.0
  Pd  Pd5  1  0.43  0.89  1.0  1.0

data_MnPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.86
_cell_length_b   3.55
_cell_length_c   9.99
_cell_angle_alpha   100.24
_cell_angle_beta   98.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnPd2
_chemical_formula_sum   'Mn2 Pd4'
_cell_volume   98.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.41  0.2  0.41  1.0
  Pd  Pd1  2  0.08  0.87  0.08  1.0
  Pd  Pd2  2  0.33  0.12  0.33  1.0

Mn Mn Pd Pd Pd Pd