data_[Nb8Al8Cr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3565]
_cell_length_b [4.9858]
_cell_length_c [8.5914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbAlCr]
_chemical_formula_sum '[Nb8 Al8 Cr8]'
_cell_volume [357.9517]
_cell_formula_units_Z [8]
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
[
  Nb  Nb0  4  0.1817  0.0000  0.3315  1.0
  Nb  Nb1  4  0.3080  0.0000  0.6629  1.0
  Al  Al2  4  0.2447  0.0000  0.0052  1.0
  Al  Al3  4  0.5000  0.2455  0.4100  1.0
  Cr  Cr4  4  0.0000  0.2373  0.5928  1.0
  Cr  Cr5  2  0.0000  0.0000  0.8304  1.0
  Cr  Cr6  2  0.5000  0.0000  0.1648  1.0
]