data_[Ho16Tl2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [8.7187]
_cell_length_b [13.0800]
_cell_length_c [5.4377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8TlRu2]
_chemical_formula_sum '[Ho16 Tl2 Ru4]'
_cell_volume [602.7753]
_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
[
  Ho  Ho0  8  0.1983  0.1331  0.0791  1.0
  Ho  Ho1  4  0.0000  0.2477  0.5000  1.0
  Ho  Ho2  4  0.1148  0.5000  0.3000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.3132  0.0000  1.0
]