data_NbGaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaPd2
_chemical_formula_sum   'Nb1 Ga1 Pd2'
_cell_volume   63.24
_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  0.48  0.48  0.36  1.0
  Ga  Ga0  1  0.0  0.0  0.49  1.0
  Pd  Pd2  1  0.0  0.0  0.18  1.0
  Pd  Pd3  1  0.48  0.48  0.97  1.0

data_NbGaPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbGaPd2
_chemical_formula_sum   'Nb2 Ga2 Pd4'
_cell_volume   126.48
_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  0.48  0.0  0.36  1.0
  Ga  Ga1  2  0.0  0.0  0.49  1.0
  Pd  Pd2  2  0.0  0.0  0.18  1.0
  Pd  Pd3  2  0.48  0.0  0.97  1.0

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