data_Ta2CdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   143.82
_cell_angle_beta   129.13
_cell_angle_gamma   64.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdFe
_chemical_formula_sum   'Ta2 Cd1 Fe1'
_cell_volume   66.09
_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  0.64  0.0  0.01  1.0
  Ta  Ta3  1  0.0  0.26  0.45  1.0
  Cd  Cd0  1  0.0  0.0  0.47  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0

data_Ta2CdFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.52
_cell_length_c   5.27
_cell_angle_alpha   115.44
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdFe
_chemical_formula_sum   'Ta2 Cd1 Fe1'
_cell_volume   66.09
_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  0.01  0.38  1.0
  Ta  Ta1  1  0.74  0.19  0.19  1.0
  Cd  Cd2  1  0.0  0.47  0.47  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Ta Ta Cd Fe