data_[Ho3Hf1Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3330]
_cell_length_b [3.3330]
_cell_length_c [13.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho3HfRu4]
_chemical_formula_sum '[Ho3 Hf1 Ru4]'
_cell_volume [149.5810]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.2477  1
  Ho  Ho1  1  0.5000  0.5000  0.5000  1
  Hf  Hf2  1  0.5000  0.5000  0.0000  1
  Ru  Ru3  2  0.0000  0.0000  0.1140  1
  Ru  Ru4  2  0.0000  0.0000  0.3722  1
]