data_[Y16Tl4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1914]
_cell_length_b [5.3642]
_cell_length_c [6.9579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Tl2Ru]
_chemical_formula_sum '[Y16 Tl4 Ru2]'
_cell_volume [629.0802]
_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  0.0156  0.0000  0.7855  1.0
  Y  Y1  4  0.0898  0.5000  0.4222  1.0
  Y  Y2  4  0.1456  0.5000  0.9486  1.0
  Y  Y3  4  0.1990  0.0000  0.2876  1.0
  Tl  Tl4  4  0.1776  0.0000  0.7098  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]