data_NbMoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   133.39
_cell_angle_beta   133.39
_cell_angle_gamma   68.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoPd2
_chemical_formula_sum   'Nb1 Mo1 Pd2'
_cell_volume   63.43
_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
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.11  1.0
  Pd  Pd2  1  0.96  0.0  0.06  1.0
  Pd  Pd3  1  0.0  0.96  0.06  1.0

data_NbMoPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   124.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbMoPd2
_chemical_formula_sum   'Nb2 Mo2 Pd4'
_cell_volume   126.87
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.39  0.5  0.89  1.0
  Pd  Pd2  4  0.42  0.48  0.91  1.0

Nb Mo Pd Pd