data_Mn2NbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.68
_cell_angle_alpha   99.61
_cell_angle_beta   99.61
_cell_angle_gamma   34.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbPd
_chemical_formula_sum   'Mn2 Nb1 Pd1'
_cell_volume   54.47
_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  0.54  0.0  0.45  1.0
  Mn  Mn1  1  0.37  0.0  0.15  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.95  0.0  0.3  1.0

data_Mn2NbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.57
_cell_length_c   4.68
_cell_angle_alpha   99.61
_cell_angle_beta   90.0
_cell_angle_gamma   107.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbPd
_chemical_formula_sum   'Mn2 Nb1 Pd1'
_cell_volume   54.47
_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  0.46  0.55  1.0
  Mn  Mn1  1  0.0  0.63  0.85  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.05  0.7  1.0

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