data_[Cr20Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5286]
_cell_length_b [4.5286]
_cell_length_c [15.7162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cr5Ni]
_chemical_formula_sum '[Cr20 Ni4]'
_cell_volume [279.1288]
_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
[
  Cr  Cr0  6  0.0000  0.5000  0.0000  1
  Cr  Cr1  6  0.1587  0.3174  0.2500  1
  Cr  Cr2  4  0.0000  0.0000  0.0919  1
  Cr  Cr3  4  0.3333  0.6667  0.6568  1
  Ni  Ni4  4  0.3333  0.6667  0.1270  1
]