data_[Cr15Ni24]
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 [R-3m]
_cell_length_a [4.5737]
_cell_length_b [4.5737]
_cell_length_c [24.2109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cr5Ni8]
_chemical_formula_sum '[Cr15 Ni24]'
_cell_volume [438.6176]
_cell_formula_units_Z [3]
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  0.0000  0.3449  1
  Cr  Cr1  6  0.0000  0.0000  0.4633  1
  Cr  Cr2  3  0.0000  0.0000  0.0000  1
  Ni  Ni3  18  0.0027  0.5014  0.4117  1
  Ni  Ni4  6  0.0000  0.0000  0.1656  1
]