data_[Ni2Ru4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8034]
_cell_length_b [4.3732]
_cell_length_c [8.9367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NiRu2Cl]
_chemical_formula_sum '[Ni2 Ru4 Cl2]'
_cell_volume [109.5614]
_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  0.0000  0.5000  0.2354  1
  Ru  Ru1  2  0.0000  0.0000  0.0114  1
  Ru  Ru2  2  0.0000  0.5000  0.7614  1
  Cl  Cl3  2  0.0000  0.0000  0.4918  1
]