data_[Co6Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1765]
_cell_length_b [2.4951]
_cell_length_c [5.9124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoNi]
_chemical_formula_sum '[Co6 Ni6]'
_cell_volume [130.7986]
_cell_formula_units_Z [6]
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
[
  Co  Co0  2  0.3342  0.0000  0.6680  1.0
  Co  Co1  2  0.3894  0.0000  0.2771  1.0
  Co  Co2  2  0.4991  0.5000  0.0001  1.0
  Ni  Ni3  2  0.0540  0.0000  0.6095  1.0
  Ni  Ni4  2  0.1677  0.5000  0.3335  1.0
  Ni  Ni5  2  0.2223  0.5000  0.9451  1.0
]