data_TaNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.47
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Pd
_chemical_formula_sum   'Ta1 Ni2 Pd1'
_cell_volume   55.12
_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  0.0  0.0  0.7  1.0
  Ni  Ni0  1  0.47  0.73  0.01  1.0
  Ni  Ni1  1  0.47  0.73  0.38  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TaNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.47
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Pd
_chemical_formula_sum   'Ta1 Ni2 Pd1'
_cell_volume   55.12
_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  0.0  0.0  0.7  1.0
  Ni  Ni1  1  0.47  0.73  0.01  1.0
  Ni  Ni2  1  0.47  0.73  0.38  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ta Ni Ni Pd