data_[Dy12Tl4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [12.1536]
_cell_length_b [5.4862]
_cell_length_c [8.9082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy3TlRu]
_chemical_formula_sum '[Dy12 Tl4 Ru4]'
_cell_volume [545.1630]
_cell_formula_units_Z [4]
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
[
  Dy  Dy0  4  0.1013  0.0000  0.2234  1.0
  Dy  Dy1  4  0.1051  0.5000  0.8932  1.0
  Dy  Dy2  4  0.1699  0.0000  0.6725  1.0
  Tl  Tl3  4  0.1191  0.5000  0.4692  1.0
  Ru  Ru4  4  0.1498  0.0000  0.9563  1.0
]