data_TaFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   133.14
_cell_angle_beta   131.73
_cell_angle_gamma   69.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFe2Pd
_chemical_formula_sum   'Ta1 Fe2 Pd1'
_cell_volume   56.46
_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  0.88  1.0
  Fe  Fe0  1  0.88  0.0  0.96  1.0
  Fe  Fe1  1  0.0  0.93  0.92  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TaFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.87
_cell_length_c   4.73
_cell_angle_alpha   114.14
_cell_angle_beta   113.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFe2Pd
_chemical_formula_sum   'Ta1 Fe2 Pd1'
_cell_volume   56.46
_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  0.88  0.88  1.0
  Fe  Fe1  1  0.0  0.96  0.08  1.0
  Fe  Fe2  1  0.07  0.99  0.99  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ta Fe Fe Pd