data_MnNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbPd2
_chemical_formula_sum   'Mn1 Nb1 Pd2'
_cell_volume   62.35
_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  0.81  1.0
  Nb  Nb1  1  0.42  0.42  0.75  1.0
  Pd  Pd2  1  0.0  0.0  0.72  1.0
  Pd  Pd3  1  0.42  0.42  0.04  1.0

data_MnNbPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnNbPd2
_chemical_formula_sum   'Mn2 Nb2 Pd4'
_cell_volume   124.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.81  1.0
  Nb  Nb1  2  0.42  0.0  0.75  1.0
  Pd  Pd2  2  0.0  0.0  0.72  1.0
  Pd  Pd3  2  0.42  0.0  0.04  1.0

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