data_[Cr2In4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4821]
_cell_length_b [3.0580]
_cell_length_c [4.7738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrIn2Ru]
_chemical_formula_sum '[Cr2 In4 Ru2]'
_cell_volume [142.0201]
_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  0.2773  0.5000  0.2222  1
  In  In1  2  0.0150  0.0000  0.0560  1
  In  In2  2  0.2303  0.0000  0.6856  1
  Ru  Ru3  2  0.4775  0.0000  0.5361  1
]