data_[Zn6Si2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6487]
_cell_length_b [3.7281]
_cell_length_c [8.1988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn3SiNi6]
_chemical_formula_sum '[Zn6 Si2 Ni12]'
_cell_volume [232.6738]
_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
[
  Zn  Zn0  2  0.2448  0.2500  0.9977  1
  Zn  Zn1  2  0.3461  0.7500  0.7944  1
  Zn  Zn2  2  0.4500  0.2500  0.5991  1
  Si  Si3  2  0.0636  0.2500  0.3765  1
  Ni  Ni4  2  0.0488  0.7500  0.8964  1
  Ni  Ni5  2  0.1251  0.2500  0.6765  1
  Ni  Ni6  2  0.1526  0.7500  0.1924  1
  Ni  Ni7  2  0.2234  0.7500  0.4921  1
  Ni  Ni8  2  0.3470  0.2500  0.2987  1
  Ni  Ni9  2  0.4498  0.7500  0.0992  1
]