data_[Hf1Nb3Cr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9388]
_cell_length_b [4.9388]
_cell_length_c [8.1004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfNb3Cr8]
_chemical_formula_sum '[Hf1 Nb3 Cr8]'
_cell_volume [171.1109]
_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
[
  Hf  Hf0  1  0.0000  0.0000  0.4391  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0585  1.0
  Nb  Nb2  1  0.6667  0.3333  0.5617  1.0
  Nb  Nb3  1  0.6667  0.3333  0.9404  1.0
  Cr  Cr4  3  0.1641  0.3282  0.7520  1.0
  Cr  Cr5  3  0.5024  0.0047  0.2479  1.0
  Cr  Cr6  1  0.3333  0.6667  0.5015  1.0
  Cr  Cr7  1  0.3333  0.6667  0.9989  1.0
]