data_[Ni2P6Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.8286]
_cell_length_b [3.8286]
_cell_length_c [17.1926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [NiP3Ru4]
_chemical_formula_sum '[Ni2 P6 Ru8]'
_cell_volume [218.2509]
_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
[
  Ni  Ni0  2  0.3333  0.6667  0.7888  1
  P  P1  2  0.0000  0.0000  0.3367  1
  P  P2  2  0.3333  0.6667  0.5116  1
  P  P3  2  0.3333  0.6667  0.6570  1
  Ru  Ru4  2  0.0000  0.0000  0.1990  1
  Ru  Ru5  2  0.0000  0.0000  0.4790  1
  Ru  Ru6  2  0.3333  0.6667  0.0893  1
  Ru  Ru7  2  0.3333  0.6667  0.3743  1
]