data_MgNbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   147.52
_cell_angle_beta   131.06
_cell_angle_gamma   59.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbPd
_chemical_formula_sum   'Mg1 Nb1 Pd1'
_cell_volume   51.23
_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
  Mg  Mg0  1  0.0  0.0  0.67  1.0
  Nb  Nb1  1  0.0  0.0  0.86  1.0
  Pd  Pd2  1  0.0  0.0  0.92  1.0

data_MgNbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.17
_cell_length_c   5.03
_cell_angle_alpha   114.47
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbPd
_chemical_formula_sum   'Mg1 Nb1 Pd1'
_cell_volume   51.23
_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
  Mg  Mg0  1  0.33  0.33  0.33  1.0
  Nb  Nb1  1  0.14  0.14  0.14  1.0
  Pd  Pd2  1  0.08  0.08  0.08  1.0

Mg Nb Pd
Mg Nb Pd 0 1 o o o 1 2 o o o 