data_[Ho3Al3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.8645]
_cell_length_b [6.8645]
_cell_length_c [4.1612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [HoAlRu]
_chemical_formula_sum '[Ho3 Al3 Ru3]'
_cell_volume [169.8078]
_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  3  0.0000  0.4159  0.5000  1.0
  Al  Al1  3  0.0000  0.7607  0.0000  1.0
  Ru  Ru2  2  0.3333  0.6667  0.0000  1.0
  Ru  Ru3  1  0.0000  0.0000  0.5000  1.0
]