data_[In8Fe4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5495]
_cell_length_b [4.5016]
_cell_length_c [5.4638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2FeRu]
_chemical_formula_sum '[In8 Fe4 Ru4]'
_cell_volume [297.1767]
_cell_formula_units_Z [4]
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
[
  In  In0  2  0.0762  0.0000  0.2390  1
  In  In1  2  0.1892  0.5000  0.5380  1
  In  In2  2  0.3055  0.0000  0.0628  1
  In  In3  2  0.4480  0.0000  0.6684  1
  Fe  Fe4  2  0.0717  0.0000  0.7455  1
  Fe  Fe5  2  0.3788  0.5000  0.3696  1
  Ru  Ru6  2  0.1727  0.5000  0.0224  1
  Ru  Ru7  2  0.3859  0.5000  0.8788  1
]