data_TiNiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   143.45
_cell_angle_beta   140.0
_cell_angle_gamma   55.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiPd
_chemical_formula_sum   'Ti1 Ni1 Pd1'
_cell_volume   42.2
_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
  Ti  Ti2  1  0.0  0.0  0.58  1.0
  Ni  Ni0  1  0.0  0.0  0.12  1.0
  Pd  Pd1  1  0.0  0.0  0.82  1.0

data_TiNiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.29
_cell_length_c   4.81
_cell_angle_alpha   110.0
_cell_angle_beta   108.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiPd
_chemical_formula_sum   'Ti1 Ni1 Pd1'
_cell_volume   42.2
_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
  Ti  Ti0  1  0.42  0.42  0.42  1.0
  Ni  Ni1  1  0.88  0.88  0.88  1.0
  Pd  Pd2  1  0.18  0.18  0.18  1.0

Ti Ni Pd