data_[Zr4Ti4Cr8Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5724]
_cell_length_b [4.9021]
_cell_length_c [7.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrTi(CrFe)2]
_chemical_formula_sum '[Zr4 Ti4 Cr8 Fe8]'
_cell_volume [332.7103]
_cell_formula_units_Z [4]
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  Zr0  2  0.1659  0.5000  0.9285  1.0
  Zr  Zr1  2  0.3335  0.0000  0.0656  1.0
  Ti  Ti2  2  0.1657  0.5000  0.5565  1.0
  Ti  Ti3  2  0.3335  0.0000  0.4452  1.0
  Cr  Cr4  4  0.0863  0.2562  0.2594  1.0
  Cr  Cr5  2  0.4990  0.5000  0.4990  1.0
  Cr  Cr6  2  0.4997  0.5000  0.0032  1.0
  Fe  Fe7  4  0.4155  0.2464  0.7418  1.0
  Fe  Fe8  2  0.1701  0.0000  0.7421  1.0
  Fe  Fe9  2  0.3291  0.5000  0.2576  1.0
]