data_TaNiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   143.63
_cell_angle_beta   136.6
_cell_angle_gamma   57.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNiPd
_chemical_formula_sum   'Ta1 Ni1 Pd1'
_cell_volume   44.2
_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  Ta2  1  0.0  0.0  0.86  1.0
  Ni  Ni0  1  0.0  0.0  0.32  1.0
  Pd  Pd1  1  0.0  0.0  0.56  1.0

data_TaNiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.54
_cell_length_c   4.78
_cell_angle_alpha   111.7
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNiPd
_chemical_formula_sum   'Ta1 Ni1 Pd1'
_cell_volume   44.2
_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  0.14  0.14  0.14  1.0
  Ni  Ni1  1  0.68  0.68  0.68  1.0
  Pd  Pd2  1  0.44  0.44  0.44  1.0

Ta Ni Pd
Ta Ni Pd 0 2 o o o 1 2 o o o 