data_[Cr2Ni2Ru2]
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 [4.4443]
_cell_length_b [4.1141]
_cell_length_c [4.5570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrNiRu]
_chemical_formula_sum '[Cr2 Ni2 Ru2]'
_cell_volume [72.8311]
_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  0.4888  0.7500  0.8281  1
  Ni  Ni1  2  0.1481  0.7500  0.1493  1
  Ru  Ru2  2  0.1887  0.2500  0.5003  1
]