data_[Ho4Er12Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.5900]
_cell_length_b [9.6263]
_cell_length_c [6.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ho(ErRu)3]
_chemical_formula_sum '[Ho4 Er12 Ru12]'
_cell_volume [619.8535]
_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  0.2478  0.0000  0.0000  1.0
  Er  Er1  4  0.0000  0.2436  0.0000  1.0
  Er  Er2  4  0.0000  0.2455  0.5000  1.0
  Er  Er3  4  0.2453  0.0000  0.5000  1.0
  Ru  Ru4  8  0.2500  0.2500  0.2498  1.0
  Ru  Ru5  4  0.0000  0.0000  0.2510  1.0
]