data_[La2Y6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4483]
_cell_length_b [7.0495]
_cell_length_c [7.2821]
_cell_angle_alpha [90.2478]
_cell_angle_beta [95.2420]
_cell_angle_gamma [112.2204]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaY3Ru]
_chemical_formula_sum '[La2 Y6 Ru2]'
_cell_volume [304.8870]
_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
[
  La  La0  1  0.0892  0.0761  0.4404  1.0
  La  La1  1  0.5930  0.5335  0.6006  1.0
  Y  Y2  1  0.1448  0.7193  0.8175  1.0
  Y  Y3  1  0.1566  0.6010  0.2883  1.0
  Y  Y4  1  0.1934  0.2472  0.9393  1.0
  Y  Y5  1  0.6258  0.1716  0.2451  1.0
  Y  Y6  1  0.6475  0.0607  0.7371  1.0
  Y  Y7  1  0.6897  0.7044  0.0877  1.0
  Ru  Ru8  1  0.8369  0.4111  0.9720  1.0
  Ru  Ru9  1  0.9884  0.3571  0.5808  1.0
]