data_[Co6Cu4Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0485]
_cell_length_b [8.2347]
_cell_length_c [4.3243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co3(CuNi4)2]
_chemical_formula_sum '[Co6 Cu4 Ni16]'
_cell_volume [298.2242]
_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  0.0000  0.2505  0.0000  1
  Co  Co1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  4  0.2065  0.5000  0.3655  1
  Ni  Ni3  8  0.1662  0.2483  0.6710  1
  Ni  Ni4  4  0.0685  0.5000  0.7872  1
  Ni  Ni5  4  0.1474  0.0000  0.0603  1
]