data_Ta2FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.3
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeIr
_chemical_formula_sum   'Ta2 Fe1 Ir1'
_cell_volume   62.43
_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  0.96  0.0  0.62  1.0
  Ta  Ta3  1  0.9  0.15  0.66  1.0
  Fe  Fe0  1  0.47  0.0  0.1  1.0
  Ir  Ir1  1  0.45  0.15  0.9  1.0

data_Ta2FeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.3
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeIr
_chemical_formula_sum   'Ta2 Fe1 Ir1'
_cell_volume   62.43
_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  0.9  0.15  0.66  1.0
  Ta  Ta1  1  0.96  0.0  0.62  1.0
  Fe  Fe2  1  0.47  0.0  0.1  1.0
  Ir  Ir3  1  0.45  0.15  0.9  1.0

Ta Ta Fe Ir
Ta Ta Fe Ir 0 1 o o o 2 3 o o - 