data_[Cr2Ni2Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6433]
_cell_length_b [4.1990]
_cell_length_c [7.0119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrNiRu3]
_chemical_formula_sum '[Cr2 Ni2 Ru6]'
_cell_volume [129.1247]
_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
[
  Cr  Cr0  2  0.0649  0.7500  0.8025  1
  Ni  Ni1  2  0.4676  0.7500  0.5962  1
  Ru  Ru2  2  0.1434  0.2500  0.6013  1
  Ru  Ru3  2  0.2686  0.7500  0.2083  1
  Ru  Ru4  2  0.3304  0.2500  0.0064  1
]