data_Ta2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   34.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeNi
_chemical_formula_sum   'Ta2 Fe1 Ni1'
_cell_volume   58.08
_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  0.0  0.0  0.57  1.0
  Ta  Ta3  1  0.04  0.0  0.8  1.0
  Fe  Fe0  1  0.0  0.0  0.5  1.0
  Ni  Ni1  1  0.04  0.0  0.18  1.0

data_Ta2FeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.07
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   107.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeNi
_chemical_formula_sum   'Ta2 Fe1 Ni1'
_cell_volume   58.08
_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  0.2  0.04  0.2  1.0
  Ta  Ta1  1  0.43  0.0  0.43  1.0
  Fe  Fe2  1  0.5  0.0  0.5  1.0
  Ni  Ni3  1  0.82  0.04  0.82  1.0

Ta Ta Fe Ni