data_[Cr4Ni8]
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 [Cm]
_cell_length_a [9.2907]
_cell_length_b [2.4550]
_cell_length_c [5.9570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrNi2]
_chemical_formula_sum '[Cr4 Ni8]'
_cell_volume [131.2446]
_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  2  0.1669  0.5000  0.3299  1.0
  Cr  Cr1  2  0.4976  0.5000  0.9981  1.0
  Ni  Ni2  2  0.0564  0.0000  0.6109  1.0
  Ni  Ni3  2  0.2224  0.5000  0.9479  1.0
  Ni  Ni4  2  0.3322  0.0000  0.6662  1.0
  Ni  Ni5  2  0.3912  0.0000  0.2804  1.0
]