data_[Y5In4Ru1]
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 [P4/mmm]
_cell_length_a [3.4961]
_cell_length_b [3.4961]
_cell_length_c [20.6533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Y5In4Ru]
_chemical_formula_sum '[Y5 In4 Ru1]'
_cell_volume [252.4359]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.0801  1
  Y  Y1  2  0.5000  0.5000  0.2905  1
  Y  Y2  1  0.5000  0.5000  0.5000  1
  In  In3  2  0.0000  0.0000  0.1873  1
  In  In4  2  0.0000  0.0000  0.3953  1
  Ru  Ru5  1  0.0000  0.0000  0.0000  1
]