data_[Y16In2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.3132]
_cell_length_b [16.0875]
_cell_length_c [6.9303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y8InRu2]
_chemical_formula_sum '[Y16 In2 Ru4]'
_cell_volume [592.3721]
_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
[
  Y  Y0  4  0.0000  0.1091  0.8215  1
  Y  Y1  4  0.0000  0.2877  0.4905  1
  Y  Y2  4  0.0000  0.3313  0.9529  1
  Y  Y3  2  0.0000  0.0000  0.3570  1
  Y  Y4  2  0.0000  0.5000  0.5881  1
  In  In5  2  0.0000  0.5000  0.1541  1
  Ru  Ru6  4  0.0000  0.1719  0.1855  1
]