data_TaMoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.55
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoPd2
_chemical_formula_sum   'Ta1 Mo1 Pd2'
_cell_volume   63.72
_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  0.06  0.28  0.32  1.0
  Mo  Mo0  1  0.94  0.0  1.0  1.0
  Pd  Pd1  1  0.38  0.28  0.82  1.0
  Pd  Pd2  1  0.41  0.0  0.43  1.0

data_TaMoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.55
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoPd2
_chemical_formula_sum   'Ta1 Mo1 Pd2'
_cell_volume   63.72
_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  0.06  0.28  0.32  1.0
  Mo  Mo1  1  0.94  0.0  1.0  1.0
  Pd  Pd2  1  0.38  0.28  0.82  1.0
  Pd  Pd3  1  0.41  0.0  0.43  1.0

Ta Mo Pd Pd
Ta Mo Pd Pd 0 3 o o o 0 1 - o - 1 2 o o o 1 2 + o o 2 3 o o o 