data_Ta2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.99
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   94.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiPd
_chemical_formula_sum   'Ta2 Ni1 Pd1'
_cell_volume   61.72
_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  Ta2  1  0.15  1.0  0.22  1.0
  Ta  Ta3  1  0.22  1.0  0.33  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.79  0.0  0.77  1.0

data_Ta2NiPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.79
_cell_length_b   3.99
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   94.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2NiPd
_chemical_formula_sum   'Ta2 Ni1 Pd1'
_cell_volume   61.72
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.15  0.0  0.22  1.0
  Ta  Ta1  1  0.22  0.0  0.33  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.79  0.0  0.77  1.0

Ta Ta Ni Pd