data_NaGaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   146.11
_cell_angle_beta   146.11
_cell_angle_gamma   48.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaPd
_chemical_formula_sum   'Na1 Ga1 Pd1'
_cell_volume   61.95
_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
  Na  Na1  1  0.0  0.0  0.52  1.0
  Ga  Ga0  1  0.0  0.0  0.55  1.0
  Pd  Pd2  1  0.0  0.0  0.59  1.0

data_NaGaPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   114.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGaPd
_chemical_formula_sum   'Na2 Ga2 Pd2'
_cell_volume   123.9
_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
  Na  Na0  2  0.0  0.0  0.48  1.0
  Ga  Ga1  2  0.0  0.0  0.45  1.0
  Pd  Pd2  2  0.0  0.0  0.41  1.0

Na Ga Pd