data_[Y4Tl5Ru2]
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 [P2/m]
_cell_length_a [7.9016]
_cell_length_b [3.6882]
_cell_length_c [9.7560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y4Tl5Ru2]
_chemical_formula_sum '[Y4 Tl5 Ru2]'
_cell_volume [283.6162]
_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  0.1845  0.5000  0.8391  1.0
  Y  Y1  2  0.2075  0.5000  0.4374  1.0
  Tl  Tl2  2  0.1560  0.0000  0.1437  1.0
  Tl  Tl3  2  0.4516  0.0000  0.6647  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru5  2  0.0767  0.0000  0.6371  1.0
]