data_[Nb4Co2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [11.1056]
_cell_length_b [3.6086]
_cell_length_c [5.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2CoNi6]
_chemical_formula_sum '[Nb4 Co2 Ni12]'
_cell_volume [222.1531]
_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
[
  Nb  Nb0  4  0.0602  0.0000  0.8150  1
  Co  Co1  2  0.0000  0.5000  0.5000  1
  Ni  Ni2  4  0.1105  0.5000  0.1707  1
  Ni  Ni3  4  0.1714  0.0000  0.5010  1
  Ni  Ni4  4  0.2253  0.5000  0.8288  1
]