data_[Ni2Sb2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5262]
_cell_length_b [2.9673]
_cell_length_c [4.8650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiSbRu2]
_chemical_formula_sum '[Ni2 Sb2 Ru4]'
_cell_volume [120.1707]
_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  0.0000  1
  Sb  Sb1  2  0.0000  0.0000  0.5000  1
  Ru  Ru2  4  0.2477  0.0000  0.2229  1
]