data_[Ho36Tl18Os3]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1212]
_cell_length_b [12.1212]
_cell_length_c [13.3864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho12Tl6Os]
_chemical_formula_sum '[Ho36 Tl18 Os3]'
_cell_volume [1703.2960]
_cell_formula_units_Z [3]
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  18  0.0343  0.8469  0.3931  1
  Ho  Ho1  18  0.0343  0.1876  0.8741  1
  Tl  Tl2  18  0.0089  0.6122  0.2633  1
  Os  Os3  3  0.0000  0.0000  0.0000  1
]