data_[Ho3Mg3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1249]
_cell_length_b [7.1249]
_cell_length_c [4.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [HoMgRu]
_chemical_formula_sum '[Ho3 Mg3 Ru3]'
_cell_volume [182.4195]
_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  0.5843  0.5000  1.0
  Mg  Mg1  3  0.0000  0.2420  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
]