data_TaNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.41
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbPd2
_chemical_formula_sum   'Ta1 Nb1 Pd2'
_cell_volume   67.0
_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
  Ta  Ta3  1  0.62  0.7  0.92  1.0
  Nb  Nb0  1  0.0  0.0  0.65  1.0
  Pd  Pd1  1  0.62  0.7  0.02  1.0
  Pd  Pd2  1  0.0  0.0  0.57  1.0

data_TaNbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.41
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbPd2
_chemical_formula_sum   'Ta1 Nb1 Pd2'
_cell_volume   67.0
_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
  Ta  Ta0  1  0.62  0.7  0.92  1.0
  Nb  Nb1  1  0.0  0.0  0.65  1.0
  Pd  Pd2  1  0.0  0.0  0.57  1.0
  Pd  Pd3  1  0.62  0.7  0.02  1.0

Ta Nb Pd Pd
Ta Nb Pd Pd 0 2 o o + 1 3 o o o 