data_Ta2FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   132.51
_cell_angle_beta   125.6
_cell_angle_gamma   75.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeIr
_chemical_formula_sum   'Ta2 Fe1 Ir1'
_cell_volume   61.19
_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  0.16  0.96  1.0
  Ta  Ta3  1  0.9  0.0  0.78  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.74  1.0

data_Ta2FeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.31
_cell_length_c   4.71
_cell_angle_alpha   117.2
_cell_angle_beta   113.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeIr
_chemical_formula_sum   'Ta2 Fe1 Ir1'
_cell_volume   61.19
_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  0.78  0.88  1.0
  Ta  Ta1  1  0.84  0.8  0.8  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.74  0.74  1.0

Ta Ta Fe Ir