data_[Co6Ni14]
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 [C2/m]
_cell_length_a [12.6350]
_cell_length_b [3.4923]
_cell_length_c [4.9604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co3Ni7]
_chemical_formula_sum '[Co6 Ni14]'
_cell_volume [215.1758]
_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  4  0.2030  0.0000  0.5984  1.0
  Co  Co1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.0990  0.5000  0.7979  1.0
  Ni  Ni3  4  0.1000  0.5000  0.2984  1.0
  Ni  Ni4  4  0.1996  0.0000  0.0991  1.0
  Ni  Ni5  2  0.0000  0.0000  0.5000  1.0
]