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 [C2/m]
_cell_length_a [9.2872]
_cell_length_b [2.4965]
_cell_length_c [5.9149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrNi2]
_chemical_formula_sum '[Cr4 Ni8]'
_cell_volume [132.7059]
_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  4  0.0240  0.0000  0.8090  1.0
  Ni  Ni1  4  0.1374  0.5000  0.5302  1.0
  Ni  Ni2  4  0.1941  0.5000  0.1366  1.0
]