data_[Ho4Tm12Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.5115]
_cell_length_b [9.5969]
_cell_length_c [6.6758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ho(TmRu)3]
_chemical_formula_sum '[Ho4 Tm12 Ru12]'
_cell_volume [609.3732]
_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
[
  Ho  Ho0  4  0.2497  0.5000  0.0000  1.0
  Tm  Tm1  4  0.0000  0.2413  0.0000  1.0
  Tm  Tm2  4  0.0000  0.2455  0.5000  1.0
  Tm  Tm3  4  0.2451  0.0000  0.5000  1.0
  Ru  Ru4  8  0.2500  0.2500  0.2503  1.0
  Ru  Ru5  4  0.0000  0.0000  0.2516  1.0
]