data_ZrTaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08
_cell_length_b   9.08
_cell_length_c   9.08
_cell_angle_alpha   18.43
_cell_angle_beta   18.43
_cell_angle_gamma   18.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaFe2
_chemical_formula_sum   'Zr1 Ta1 Fe2'
_cell_volume   65.38
_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
  Zr  Zr3  1  0.0  0.0  0.87  1.0
  Ta  Ta2  1  0.0  0.0  0.09  1.0
  Fe  Fe0  1  0.0  0.0  0.28  1.0
  Fe  Fe1  1  0.0  0.0  0.92  1.0

data_ZrTaFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTaFe2
_chemical_formula_sum   'Zr2 Ta2 Fe4'
_cell_volume   130.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.13  1.0
  Ta  Ta1  2  0.0  0.0  0.91  1.0
  Fe  Fe2  2  0.0  0.0  0.08  1.0
  Fe  Fe3  2  0.0  0.0  0.72  1.0

Zr Ta Fe Fe