data_[Co6Ni2]
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 [P2_1/m]
_cell_length_a [4.3214]
_cell_length_b [4.0245]
_cell_length_c [5.0002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Co3Ni]
_chemical_formula_sum '[Co6 Ni2]'
_cell_volume [86.9618]
_cell_formula_units_Z [2]
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  0.0813  0.7500  0.1237  1.0
  Co  Co1  2  0.4151  0.2500  0.1252  1.0
  Co  Co2  2  0.4173  0.2500  0.6246  1.0
  Ni  Ni3  2  0.0828  0.7500  0.6239  1.0
]