data_NaTaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   120.75
_cell_angle_beta   120.75
_cell_angle_gamma   88.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaPd2
_chemical_formula_sum   'Na1 Ta1 Pd2'
_cell_volume   67.26
_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  Na0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.28  1.0
  Pd  Pd1  1  0.27  0.0  0.64  1.0
  Pd  Pd2  1  0.0  0.27  0.64  1.0

data_NaTaPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   134.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTaPd2
_chemical_formula_sum   'Na2 Ta2 Pd4'
_cell_volume   134.52
_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  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.28  1.0
  Pd  Pd2  4  0.37  0.37  0.37  1.0

Na Ta Pd Pd