[CIF]
data_Zr2TaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54922896
_cell_length_b   5.54922896
_cell_length_c   5.54922896
_cell_angle_alpha   146.11747809
_cell_angle_beta   128.65730983
_cell_angle_gamma   62.94514231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaFe
_chemical_formula_sum   'Zr2 Ta1 Fe1'
_cell_volume   73.59092581
_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
  Fe  Fe0  1  0.00000000  0.00000000  4.82467972  1
  Ta  Ta1  1  0.00000000  2.40397250  2.08581220  1
  Zr  Zr2  1  0.00000000  -0.00000000  9.43606241  1
  Zr  Zr3  1  1.61699625  0.00000000  2.58497754  1
[/CIF]
