data_[Cu4Si2Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2298]
_cell_length_b [11.2909]
_cell_length_c [4.1390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2SiNi8]
_chemical_formula_sum '[Cu4 Si2 Ni16]'
_cell_volume [257.9879]
_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
[
  Cu  Cu0  4  0.0000  0.3024  0.0000  1
  Si  Si1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  8  0.2120  0.1072  0.1369  1
  Ni  Ni3  4  0.0000  0.1979  0.5000  1
  Ni  Ni4  4  0.1057  0.5000  0.3079  1
]